+
+ Read the Docs
+ v: ${config.versions.current.slug}
+
+
+
+
+ ${renderLanguages(config)}
+ ${renderVersions(config)}
+ ${renderDownloads(config)}
+
+ On Read the Docs
+
+ Project Home
+
+
+ Builds
+
+
+ Downloads
+
+
+
+ Search
+
+
+
+
+
+
+ Hosted by Read the Docs
+
+
+
+ `;
+
+ // Inject the generated flyout into the body HTML element.
+ document.body.insertAdjacentHTML("beforeend", flyout);
+
+ // Trigger the Read the Docs Addons Search modal when clicking on the "Search docs" input from inside the flyout.
+ document
+ .querySelector("#flyout-search-form")
+ .addEventListener("focusin", () => {
+ const event = new CustomEvent("readthedocs-search-show");
+ document.dispatchEvent(event);
+ });
+ })
+}
+
+if (themeLanguageSelector || themeVersionSelector) {
+ function onSelectorSwitch(event) {
+ const option = event.target.selectedIndex;
+ const item = event.target.options[option];
+ window.location.href = item.dataset.url;
+ }
+
+ document.addEventListener("readthedocs-addons-data-ready", function (event) {
+ const config = event.detail.data();
+
+ const versionSwitch = document.querySelector(
+ "div.switch-menus > div.version-switch",
+ );
+ if (themeVersionSelector) {
+ let versions = config.versions.active;
+ if (config.versions.current.hidden || config.versions.current.type === "external") {
+ versions.unshift(config.versions.current);
+ }
+ const versionSelect = `
+
+ ${versions
+ .map(
+ (version) => `
+
+ ${version.slug}
+ `,
+ )
+ .join("\n")}
+
+ `;
+
+ versionSwitch.innerHTML = versionSelect;
+ versionSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+ }
+
+ const languageSwitch = document.querySelector(
+ "div.switch-menus > div.language-switch",
+ );
+
+ if (themeLanguageSelector) {
+ if (config.projects.translations.length) {
+ // Add the current language to the options on the selector
+ let languages = config.projects.translations.concat(
+ config.projects.current,
+ );
+ languages = languages.sort((a, b) =>
+ a.language.name.localeCompare(b.language.name),
+ );
+
+ const languageSelect = `
+
+ ${languages
+ .map(
+ (language) => `
+
+ ${language.language.name}
+ `,
+ )
+ .join("\n")}
+
+ `;
+
+ languageSwitch.innerHTML = languageSelect;
+ languageSwitch.firstElementChild.addEventListener("change", onSelectorSwitch);
+ }
+ else {
+ languageSwitch.remove();
+ }
+ }
+ });
+}
+
+document.addEventListener("readthedocs-addons-data-ready", function (event) {
+ // Trigger the Read the Docs Addons Search modal when clicking on "Search docs" input from the topnav.
+ document
+ .querySelector("[role='search'] input")
+ .addEventListener("focusin", () => {
+ const event = new CustomEvent("readthedocs-search-show");
+ document.dispatchEvent(event);
+ });
+});
\ No newline at end of file
diff --git a/_static/language_data.js b/_static/language_data.js
new file mode 100644
index 0000000..c7fe6c6
--- /dev/null
+++ b/_static/language_data.js
@@ -0,0 +1,192 @@
+/*
+ * This script contains the language-specific data used by searchtools.js,
+ * namely the list of stopwords, stemmer, scorer and splitter.
+ */
+
+var stopwords = ["a", "and", "are", "as", "at", "be", "but", "by", "for", "if", "in", "into", "is", "it", "near", "no", "not", "of", "on", "or", "such", "that", "the", "their", "then", "there", "these", "they", "this", "to", "was", "will", "with"];
+
+
+/* Non-minified version is copied as a separate JS file, if available */
+
+/**
+ * Porter Stemmer
+ */
+var Stemmer = function() {
+
+ var step2list = {
+ ational: 'ate',
+ tional: 'tion',
+ enci: 'ence',
+ anci: 'ance',
+ izer: 'ize',
+ bli: 'ble',
+ alli: 'al',
+ entli: 'ent',
+ eli: 'e',
+ ousli: 'ous',
+ ization: 'ize',
+ ation: 'ate',
+ ator: 'ate',
+ alism: 'al',
+ iveness: 'ive',
+ fulness: 'ful',
+ ousness: 'ous',
+ aliti: 'al',
+ iviti: 'ive',
+ biliti: 'ble',
+ logi: 'log'
+ };
+
+ var step3list = {
+ icate: 'ic',
+ ative: '',
+ alize: 'al',
+ iciti: 'ic',
+ ical: 'ic',
+ ful: '',
+ ness: ''
+ };
+
+ var c = "[^aeiou]"; // consonant
+ var v = "[aeiouy]"; // vowel
+ var C = c + "[^aeiouy]*"; // consonant sequence
+ var V = v + "[aeiou]*"; // vowel sequence
+
+ var mgr0 = "^(" + C + ")?" + V + C; // [C]VC... is m>0
+ var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$"; // [C]VC[V] is m=1
+ var mgr1 = "^(" + C + ")?" + V + C + V + C; // [C]VCVC... is m>1
+ var s_v = "^(" + C + ")?" + v; // vowel in stem
+
+ this.stemWord = function (w) {
+ var stem;
+ var suffix;
+ var firstch;
+ var origword = w;
+
+ if (w.length < 3)
+ return w;
+
+ var re;
+ var re2;
+ var re3;
+ var re4;
+
+ firstch = w.substr(0,1);
+ if (firstch == "y")
+ w = firstch.toUpperCase() + w.substr(1);
+
+ // Step 1a
+ re = /^(.+?)(ss|i)es$/;
+ re2 = /^(.+?)([^s])s$/;
+
+ if (re.test(w))
+ w = w.replace(re,"$1$2");
+ else if (re2.test(w))
+ w = w.replace(re2,"$1$2");
+
+ // Step 1b
+ re = /^(.+?)eed$/;
+ re2 = /^(.+?)(ed|ing)$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ re = new RegExp(mgr0);
+ if (re.test(fp[1])) {
+ re = /.$/;
+ w = w.replace(re,"");
+ }
+ }
+ else if (re2.test(w)) {
+ var fp = re2.exec(w);
+ stem = fp[1];
+ re2 = new RegExp(s_v);
+ if (re2.test(stem)) {
+ w = stem;
+ re2 = /(at|bl|iz)$/;
+ re3 = new RegExp("([^aeiouylsz])\\1$");
+ re4 = new RegExp("^" + C + v + "[^aeiouwxy]$");
+ if (re2.test(w))
+ w = w + "e";
+ else if (re3.test(w)) {
+ re = /.$/;
+ w = w.replace(re,"");
+ }
+ else if (re4.test(w))
+ w = w + "e";
+ }
+ }
+
+ // Step 1c
+ re = /^(.+?)y$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ stem = fp[1];
+ re = new RegExp(s_v);
+ if (re.test(stem))
+ w = stem + "i";
+ }
+
+ // Step 2
+ re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ stem = fp[1];
+ suffix = fp[2];
+ re = new RegExp(mgr0);
+ if (re.test(stem))
+ w = stem + step2list[suffix];
+ }
+
+ // Step 3
+ re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ stem = fp[1];
+ suffix = fp[2];
+ re = new RegExp(mgr0);
+ if (re.test(stem))
+ w = stem + step3list[suffix];
+ }
+
+ // Step 4
+ re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/;
+ re2 = /^(.+?)(s|t)(ion)$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ stem = fp[1];
+ re = new RegExp(mgr1);
+ if (re.test(stem))
+ w = stem;
+ }
+ else if (re2.test(w)) {
+ var fp = re2.exec(w);
+ stem = fp[1] + fp[2];
+ re2 = new RegExp(mgr1);
+ if (re2.test(stem))
+ w = stem;
+ }
+
+ // Step 5
+ re = /^(.+?)e$/;
+ if (re.test(w)) {
+ var fp = re.exec(w);
+ stem = fp[1];
+ re = new RegExp(mgr1);
+ re2 = new RegExp(meq1);
+ re3 = new RegExp("^" + C + v + "[^aeiouwxy]$");
+ if (re.test(stem) || (re2.test(stem) && !(re3.test(stem))))
+ w = stem;
+ }
+ re = /ll$/;
+ re2 = new RegExp(mgr1);
+ if (re.test(w) && re2.test(w)) {
+ re = /.$/;
+ w = w.replace(re,"");
+ }
+
+ // and turn initial Y back to y
+ if (firstch == "y")
+ w = firstch.toLowerCase() + w.substr(1);
+ return w;
+ }
+}
+
diff --git a/_static/minus.png b/_static/minus.png
new file mode 100644
index 0000000..d96755f
Binary files /dev/null and b/_static/minus.png differ
diff --git a/_static/opensearch.xml b/_static/opensearch.xml
new file mode 100644
index 0000000..d0d31d2
--- /dev/null
+++ b/_static/opensearch.xml
@@ -0,0 +1,11 @@
+
+
+ Wannier Berri
+ Search Wannier Berri documentation
+ utf-8
+
+ Wannier Berri documentation
+ https://wannier-berri.org/_static/WB-logo.ico
+
+
\ No newline at end of file
diff --git a/_static/plus.png b/_static/plus.png
new file mode 100644
index 0000000..7107cec
Binary files /dev/null and b/_static/plus.png differ
diff --git a/_static/pygments.css b/_static/pygments.css
new file mode 100644
index 0000000..0d49244
--- /dev/null
+++ b/_static/pygments.css
@@ -0,0 +1,75 @@
+pre { line-height: 125%; }
+td.linenos .normal { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; }
+span.linenos { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; }
+td.linenos .special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; }
+span.linenos.special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; }
+.highlight .hll { background-color: #ffffcc }
+.highlight { background: #eeffcc; }
+.highlight .c { color: #408090; font-style: italic } /* Comment */
+.highlight .err { border: 1px solid #FF0000 } /* Error */
+.highlight .k { color: #007020; font-weight: bold } /* Keyword */
+.highlight .o { color: #666666 } /* Operator */
+.highlight .ch { color: #408090; font-style: italic } /* Comment.Hashbang */
+.highlight .cm { color: #408090; font-style: italic } /* Comment.Multiline */
+.highlight .cp { color: #007020 } /* Comment.Preproc */
+.highlight .cpf { color: #408090; font-style: italic } /* Comment.PreprocFile */
+.highlight .c1 { color: #408090; font-style: italic } /* Comment.Single */
+.highlight .cs { color: #408090; background-color: #fff0f0 } /* Comment.Special */
+.highlight .gd { color: #A00000 } /* Generic.Deleted */
+.highlight .ge { font-style: italic } /* Generic.Emph */
+.highlight .ges { font-weight: bold; font-style: italic } /* Generic.EmphStrong */
+.highlight .gr { color: #FF0000 } /* Generic.Error */
+.highlight .gh { color: #000080; font-weight: bold } /* Generic.Heading */
+.highlight .gi { color: #00A000 } /* Generic.Inserted */
+.highlight .go { color: #333333 } /* Generic.Output */
+.highlight .gp { color: #c65d09; font-weight: bold } /* Generic.Prompt */
+.highlight .gs { font-weight: bold } /* Generic.Strong */
+.highlight .gu { color: #800080; font-weight: bold } /* Generic.Subheading */
+.highlight .gt { color: #0044DD } /* Generic.Traceback */
+.highlight .kc { color: #007020; font-weight: bold } /* Keyword.Constant */
+.highlight .kd { color: #007020; font-weight: bold } /* Keyword.Declaration */
+.highlight .kn { color: #007020; font-weight: bold } /* Keyword.Namespace */
+.highlight .kp { color: #007020 } /* Keyword.Pseudo */
+.highlight .kr { color: #007020; font-weight: bold } /* Keyword.Reserved */
+.highlight .kt { color: #902000 } /* Keyword.Type */
+.highlight .m { color: #208050 } /* Literal.Number */
+.highlight .s { color: #4070a0 } /* Literal.String */
+.highlight .na { color: #4070a0 } /* Name.Attribute */
+.highlight .nb { color: #007020 } /* Name.Builtin */
+.highlight .nc { color: #0e84b5; font-weight: bold } /* Name.Class */
+.highlight .no { color: #60add5 } /* Name.Constant */
+.highlight .nd { color: #555555; font-weight: bold } /* Name.Decorator */
+.highlight .ni { color: #d55537; font-weight: bold } /* Name.Entity */
+.highlight .ne { color: #007020 } /* Name.Exception */
+.highlight .nf { color: #06287e } /* Name.Function */
+.highlight .nl { color: #002070; font-weight: bold } /* Name.Label */
+.highlight .nn { color: #0e84b5; font-weight: bold } /* Name.Namespace */
+.highlight .nt { color: #062873; font-weight: bold } /* Name.Tag */
+.highlight .nv { color: #bb60d5 } /* Name.Variable */
+.highlight .ow { color: #007020; font-weight: bold } /* Operator.Word */
+.highlight .w { color: #bbbbbb } /* Text.Whitespace */
+.highlight .mb { color: #208050 } /* Literal.Number.Bin */
+.highlight .mf { color: #208050 } /* Literal.Number.Float */
+.highlight .mh { color: #208050 } /* Literal.Number.Hex */
+.highlight .mi { color: #208050 } /* Literal.Number.Integer */
+.highlight .mo { color: #208050 } /* Literal.Number.Oct */
+.highlight .sa { color: #4070a0 } /* Literal.String.Affix */
+.highlight .sb { color: #4070a0 } /* Literal.String.Backtick */
+.highlight .sc { color: #4070a0 } /* Literal.String.Char */
+.highlight .dl { color: #4070a0 } /* Literal.String.Delimiter */
+.highlight .sd { color: #4070a0; font-style: italic } /* Literal.String.Doc */
+.highlight .s2 { color: #4070a0 } /* Literal.String.Double */
+.highlight .se { color: #4070a0; font-weight: bold } /* Literal.String.Escape */
+.highlight .sh { color: #4070a0 } /* Literal.String.Heredoc */
+.highlight .si { color: #70a0d0; font-style: italic } /* Literal.String.Interpol */
+.highlight .sx { color: #c65d09 } /* Literal.String.Other */
+.highlight .sr { color: #235388 } /* Literal.String.Regex */
+.highlight .s1 { color: #4070a0 } /* Literal.String.Single */
+.highlight .ss { color: #517918 } /* Literal.String.Symbol */
+.highlight .bp { color: #007020 } /* Name.Builtin.Pseudo */
+.highlight .fm { color: #06287e } /* Name.Function.Magic */
+.highlight .vc { color: #bb60d5 } /* Name.Variable.Class */
+.highlight .vg { color: #bb60d5 } /* Name.Variable.Global */
+.highlight .vi { color: #bb60d5 } /* Name.Variable.Instance */
+.highlight .vm { color: #bb60d5 } /* Name.Variable.Magic */
+.highlight .il { color: #208050 } /* Literal.Number.Integer.Long */
\ No newline at end of file
diff --git a/_static/searchtools.js b/_static/searchtools.js
new file mode 100644
index 0000000..2c774d1
--- /dev/null
+++ b/_static/searchtools.js
@@ -0,0 +1,632 @@
+/*
+ * Sphinx JavaScript utilities for the full-text search.
+ */
+"use strict";
+
+/**
+ * Simple result scoring code.
+ */
+if (typeof Scorer === "undefined") {
+ var Scorer = {
+ // Implement the following function to further tweak the score for each result
+ // The function takes a result array [docname, title, anchor, descr, score, filename]
+ // and returns the new score.
+ /*
+ score: result => {
+ const [docname, title, anchor, descr, score, filename, kind] = result
+ return score
+ },
+ */
+
+ // query matches the full name of an object
+ objNameMatch: 11,
+ // or matches in the last dotted part of the object name
+ objPartialMatch: 6,
+ // Additive scores depending on the priority of the object
+ objPrio: {
+ 0: 15, // used to be importantResults
+ 1: 5, // used to be objectResults
+ 2: -5, // used to be unimportantResults
+ },
+ // Used when the priority is not in the mapping.
+ objPrioDefault: 0,
+
+ // query found in title
+ title: 15,
+ partialTitle: 7,
+ // query found in terms
+ term: 5,
+ partialTerm: 2,
+ };
+}
+
+// Global search result kind enum, used by themes to style search results.
+class SearchResultKind {
+ static get index() { return "index"; }
+ static get object() { return "object"; }
+ static get text() { return "text"; }
+ static get title() { return "title"; }
+}
+
+const _removeChildren = (element) => {
+ while (element && element.lastChild) element.removeChild(element.lastChild);
+};
+
+/**
+ * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping
+ */
+const _escapeRegExp = (string) =>
+ string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string
+
+const _displayItem = (item, searchTerms, highlightTerms) => {
+ const docBuilder = DOCUMENTATION_OPTIONS.BUILDER;
+ const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX;
+ const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX;
+ const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY;
+ const contentRoot = document.documentElement.dataset.content_root;
+
+ const [docName, title, anchor, descr, score, _filename, kind] = item;
+
+ let listItem = document.createElement("li");
+ // Add a class representing the item's type:
+ // can be used by a theme's CSS selector for styling
+ // See SearchResultKind for the class names.
+ listItem.classList.add(`kind-${kind}`);
+ let requestUrl;
+ let linkUrl;
+ if (docBuilder === "dirhtml") {
+ // dirhtml builder
+ let dirname = docName + "/";
+ if (dirname.match(/\/index\/$/))
+ dirname = dirname.substring(0, dirname.length - 6);
+ else if (dirname === "index/") dirname = "";
+ requestUrl = contentRoot + dirname;
+ linkUrl = requestUrl;
+ } else {
+ // normal html builders
+ requestUrl = contentRoot + docName + docFileSuffix;
+ linkUrl = docName + docLinkSuffix;
+ }
+ let linkEl = listItem.appendChild(document.createElement("a"));
+ linkEl.href = linkUrl + anchor;
+ linkEl.dataset.score = score;
+ linkEl.innerHTML = title;
+ if (descr) {
+ listItem.appendChild(document.createElement("span")).innerHTML =
+ " (" + descr + ")";
+ // highlight search terms in the description
+ if (SPHINX_HIGHLIGHT_ENABLED) // set in sphinx_highlight.js
+ highlightTerms.forEach((term) => _highlightText(listItem, term, "highlighted"));
+ }
+ else if (showSearchSummary)
+ fetch(requestUrl)
+ .then((responseData) => responseData.text())
+ .then((data) => {
+ if (data)
+ listItem.appendChild(
+ Search.makeSearchSummary(data, searchTerms, anchor)
+ );
+ // highlight search terms in the summary
+ if (SPHINX_HIGHLIGHT_ENABLED) // set in sphinx_highlight.js
+ highlightTerms.forEach((term) => _highlightText(listItem, term, "highlighted"));
+ });
+ Search.output.appendChild(listItem);
+};
+const _finishSearch = (resultCount) => {
+ Search.stopPulse();
+ Search.title.innerText = _("Search Results");
+ if (!resultCount)
+ Search.status.innerText = Documentation.gettext(
+ "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories."
+ );
+ else
+ Search.status.innerText = Documentation.ngettext(
+ "Search finished, found one page matching the search query.",
+ "Search finished, found ${resultCount} pages matching the search query.",
+ resultCount,
+ ).replace('${resultCount}', resultCount);
+};
+const _displayNextItem = (
+ results,
+ resultCount,
+ searchTerms,
+ highlightTerms,
+) => {
+ // results left, load the summary and display it
+ // this is intended to be dynamic (don't sub resultsCount)
+ if (results.length) {
+ _displayItem(results.pop(), searchTerms, highlightTerms);
+ setTimeout(
+ () => _displayNextItem(results, resultCount, searchTerms, highlightTerms),
+ 5
+ );
+ }
+ // search finished, update title and status message
+ else _finishSearch(resultCount);
+};
+// Helper function used by query() to order search results.
+// Each input is an array of [docname, title, anchor, descr, score, filename, kind].
+// Order the results by score (in opposite order of appearance, since the
+// `_displayNextItem` function uses pop() to retrieve items) and then alphabetically.
+const _orderResultsByScoreThenName = (a, b) => {
+ const leftScore = a[4];
+ const rightScore = b[4];
+ if (leftScore === rightScore) {
+ // same score: sort alphabetically
+ const leftTitle = a[1].toLowerCase();
+ const rightTitle = b[1].toLowerCase();
+ if (leftTitle === rightTitle) return 0;
+ return leftTitle > rightTitle ? -1 : 1; // inverted is intentional
+ }
+ return leftScore > rightScore ? 1 : -1;
+};
+
+/**
+ * Default splitQuery function. Can be overridden in ``sphinx.search`` with a
+ * custom function per language.
+ *
+ * The regular expression works by splitting the string on consecutive characters
+ * that are not Unicode letters, numbers, underscores, or emoji characters.
+ * This is the same as ``\W+`` in Python, preserving the surrogate pair area.
+ */
+if (typeof splitQuery === "undefined") {
+ var splitQuery = (query) => query
+ .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu)
+ .filter(term => term) // remove remaining empty strings
+}
+
+/**
+ * Search Module
+ */
+const Search = {
+ _index: null,
+ _queued_query: null,
+ _pulse_status: -1,
+
+ htmlToText: (htmlString, anchor) => {
+ const htmlElement = new DOMParser().parseFromString(htmlString, 'text/html');
+ for (const removalQuery of [".headerlink", "script", "style"]) {
+ htmlElement.querySelectorAll(removalQuery).forEach((el) => { el.remove() });
+ }
+ if (anchor) {
+ const anchorContent = htmlElement.querySelector(`[role="main"] ${anchor}`);
+ if (anchorContent) return anchorContent.textContent;
+
+ console.warn(
+ `Anchored content block not found. Sphinx search tries to obtain it via DOM query '[role=main] ${anchor}'. Check your theme or template.`
+ );
+ }
+
+ // if anchor not specified or not found, fall back to main content
+ const docContent = htmlElement.querySelector('[role="main"]');
+ if (docContent) return docContent.textContent;
+
+ console.warn(
+ "Content block not found. Sphinx search tries to obtain it via DOM query '[role=main]'. Check your theme or template."
+ );
+ return "";
+ },
+
+ init: () => {
+ const query = new URLSearchParams(window.location.search).get("q");
+ document
+ .querySelectorAll('input[name="q"]')
+ .forEach((el) => (el.value = query));
+ if (query) Search.performSearch(query);
+ },
+
+ loadIndex: (url) =>
+ (document.body.appendChild(document.createElement("script")).src = url),
+
+ setIndex: (index) => {
+ Search._index = index;
+ if (Search._queued_query !== null) {
+ const query = Search._queued_query;
+ Search._queued_query = null;
+ Search.query(query);
+ }
+ },
+
+ hasIndex: () => Search._index !== null,
+
+ deferQuery: (query) => (Search._queued_query = query),
+
+ stopPulse: () => (Search._pulse_status = -1),
+
+ startPulse: () => {
+ if (Search._pulse_status >= 0) return;
+
+ const pulse = () => {
+ Search._pulse_status = (Search._pulse_status + 1) % 4;
+ Search.dots.innerText = ".".repeat(Search._pulse_status);
+ if (Search._pulse_status >= 0) window.setTimeout(pulse, 500);
+ };
+ pulse();
+ },
+
+ /**
+ * perform a search for something (or wait until index is loaded)
+ */
+ performSearch: (query) => {
+ // create the required interface elements
+ const searchText = document.createElement("h2");
+ searchText.textContent = _("Searching");
+ const searchSummary = document.createElement("p");
+ searchSummary.classList.add("search-summary");
+ searchSummary.innerText = "";
+ const searchList = document.createElement("ul");
+ searchList.setAttribute("role", "list");
+ searchList.classList.add("search");
+
+ const out = document.getElementById("search-results");
+ Search.title = out.appendChild(searchText);
+ Search.dots = Search.title.appendChild(document.createElement("span"));
+ Search.status = out.appendChild(searchSummary);
+ Search.output = out.appendChild(searchList);
+
+ const searchProgress = document.getElementById("search-progress");
+ // Some themes don't use the search progress node
+ if (searchProgress) {
+ searchProgress.innerText = _("Preparing search...");
+ }
+ Search.startPulse();
+
+ // index already loaded, the browser was quick!
+ if (Search.hasIndex()) Search.query(query);
+ else Search.deferQuery(query);
+ },
+
+ _parseQuery: (query) => {
+ // stem the search terms and add them to the correct list
+ const stemmer = new Stemmer();
+ const searchTerms = new Set();
+ const excludedTerms = new Set();
+ const highlightTerms = new Set();
+ const objectTerms = new Set(splitQuery(query.toLowerCase().trim()));
+ splitQuery(query.trim()).forEach((queryTerm) => {
+ const queryTermLower = queryTerm.toLowerCase();
+
+ // maybe skip this "word"
+ // stopwords array is from language_data.js
+ if (
+ stopwords.indexOf(queryTermLower) !== -1 ||
+ queryTerm.match(/^\d+$/)
+ )
+ return;
+
+ // stem the word
+ let word = stemmer.stemWord(queryTermLower);
+ // select the correct list
+ if (word[0] === "-") excludedTerms.add(word.substr(1));
+ else {
+ searchTerms.add(word);
+ highlightTerms.add(queryTermLower);
+ }
+ });
+
+ if (SPHINX_HIGHLIGHT_ENABLED) { // set in sphinx_highlight.js
+ localStorage.setItem("sphinx_highlight_terms", [...highlightTerms].join(" "))
+ }
+
+ // console.debug("SEARCH: searching for:");
+ // console.info("required: ", [...searchTerms]);
+ // console.info("excluded: ", [...excludedTerms]);
+
+ return [query, searchTerms, excludedTerms, highlightTerms, objectTerms];
+ },
+
+ /**
+ * execute search (requires search index to be loaded)
+ */
+ _performSearch: (query, searchTerms, excludedTerms, highlightTerms, objectTerms) => {
+ const filenames = Search._index.filenames;
+ const docNames = Search._index.docnames;
+ const titles = Search._index.titles;
+ const allTitles = Search._index.alltitles;
+ const indexEntries = Search._index.indexentries;
+
+ // Collect multiple result groups to be sorted separately and then ordered.
+ // Each is an array of [docname, title, anchor, descr, score, filename, kind].
+ const normalResults = [];
+ const nonMainIndexResults = [];
+
+ _removeChildren(document.getElementById("search-progress"));
+
+ const queryLower = query.toLowerCase().trim();
+ for (const [title, foundTitles] of Object.entries(allTitles)) {
+ if (title.toLowerCase().trim().includes(queryLower) && (queryLower.length >= title.length/2)) {
+ for (const [file, id] of foundTitles) {
+ const score = Math.round(Scorer.title * queryLower.length / title.length);
+ const boost = titles[file] === title ? 1 : 0; // add a boost for document titles
+ normalResults.push([
+ docNames[file],
+ titles[file] !== title ? `${titles[file]} > ${title}` : title,
+ id !== null ? "#" + id : "",
+ null,
+ score + boost,
+ filenames[file],
+ SearchResultKind.title,
+ ]);
+ }
+ }
+ }
+
+ // search for explicit entries in index directives
+ for (const [entry, foundEntries] of Object.entries(indexEntries)) {
+ if (entry.includes(queryLower) && (queryLower.length >= entry.length/2)) {
+ for (const [file, id, isMain] of foundEntries) {
+ const score = Math.round(100 * queryLower.length / entry.length);
+ const result = [
+ docNames[file],
+ titles[file],
+ id ? "#" + id : "",
+ null,
+ score,
+ filenames[file],
+ SearchResultKind.index,
+ ];
+ if (isMain) {
+ normalResults.push(result);
+ } else {
+ nonMainIndexResults.push(result);
+ }
+ }
+ }
+ }
+
+ // lookup as object
+ objectTerms.forEach((term) =>
+ normalResults.push(...Search.performObjectSearch(term, objectTerms))
+ );
+
+ // lookup as search terms in fulltext
+ normalResults.push(...Search.performTermsSearch(searchTerms, excludedTerms));
+
+ // let the scorer override scores with a custom scoring function
+ if (Scorer.score) {
+ normalResults.forEach((item) => (item[4] = Scorer.score(item)));
+ nonMainIndexResults.forEach((item) => (item[4] = Scorer.score(item)));
+ }
+
+ // Sort each group of results by score and then alphabetically by name.
+ normalResults.sort(_orderResultsByScoreThenName);
+ nonMainIndexResults.sort(_orderResultsByScoreThenName);
+
+ // Combine the result groups in (reverse) order.
+ // Non-main index entries are typically arbitrary cross-references,
+ // so display them after other results.
+ let results = [...nonMainIndexResults, ...normalResults];
+
+ // remove duplicate search results
+ // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept
+ let seen = new Set();
+ results = results.reverse().reduce((acc, result) => {
+ let resultStr = result.slice(0, 4).concat([result[5]]).map(v => String(v)).join(',');
+ if (!seen.has(resultStr)) {
+ acc.push(result);
+ seen.add(resultStr);
+ }
+ return acc;
+ }, []);
+
+ return results.reverse();
+ },
+
+ query: (query) => {
+ const [searchQuery, searchTerms, excludedTerms, highlightTerms, objectTerms] = Search._parseQuery(query);
+ const results = Search._performSearch(searchQuery, searchTerms, excludedTerms, highlightTerms, objectTerms);
+
+ // for debugging
+ //Search.lastresults = results.slice(); // a copy
+ // console.info("search results:", Search.lastresults);
+
+ // print the results
+ _displayNextItem(results, results.length, searchTerms, highlightTerms);
+ },
+
+ /**
+ * search for object names
+ */
+ performObjectSearch: (object, objectTerms) => {
+ const filenames = Search._index.filenames;
+ const docNames = Search._index.docnames;
+ const objects = Search._index.objects;
+ const objNames = Search._index.objnames;
+ const titles = Search._index.titles;
+
+ const results = [];
+
+ const objectSearchCallback = (prefix, match) => {
+ const name = match[4]
+ const fullname = (prefix ? prefix + "." : "") + name;
+ const fullnameLower = fullname.toLowerCase();
+ if (fullnameLower.indexOf(object) < 0) return;
+
+ let score = 0;
+ const parts = fullnameLower.split(".");
+
+ // check for different match types: exact matches of full name or
+ // "last name" (i.e. last dotted part)
+ if (fullnameLower === object || parts.slice(-1)[0] === object)
+ score += Scorer.objNameMatch;
+ else if (parts.slice(-1)[0].indexOf(object) > -1)
+ score += Scorer.objPartialMatch; // matches in last name
+
+ const objName = objNames[match[1]][2];
+ const title = titles[match[0]];
+
+ // If more than one term searched for, we require other words to be
+ // found in the name/title/description
+ const otherTerms = new Set(objectTerms);
+ otherTerms.delete(object);
+ if (otherTerms.size > 0) {
+ const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase();
+ if (
+ [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0)
+ )
+ return;
+ }
+
+ let anchor = match[3];
+ if (anchor === "") anchor = fullname;
+ else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname;
+
+ const descr = objName + _(", in ") + title;
+
+ // add custom score for some objects according to scorer
+ if (Scorer.objPrio.hasOwnProperty(match[2]))
+ score += Scorer.objPrio[match[2]];
+ else score += Scorer.objPrioDefault;
+
+ results.push([
+ docNames[match[0]],
+ fullname,
+ "#" + anchor,
+ descr,
+ score,
+ filenames[match[0]],
+ SearchResultKind.object,
+ ]);
+ };
+ Object.keys(objects).forEach((prefix) =>
+ objects[prefix].forEach((array) =>
+ objectSearchCallback(prefix, array)
+ )
+ );
+ return results;
+ },
+
+ /**
+ * search for full-text terms in the index
+ */
+ performTermsSearch: (searchTerms, excludedTerms) => {
+ // prepare search
+ const terms = Search._index.terms;
+ const titleTerms = Search._index.titleterms;
+ const filenames = Search._index.filenames;
+ const docNames = Search._index.docnames;
+ const titles = Search._index.titles;
+
+ const scoreMap = new Map();
+ const fileMap = new Map();
+
+ // perform the search on the required terms
+ searchTerms.forEach((word) => {
+ const files = [];
+ const arr = [
+ { files: terms[word], score: Scorer.term },
+ { files: titleTerms[word], score: Scorer.title },
+ ];
+ // add support for partial matches
+ if (word.length > 2) {
+ const escapedWord = _escapeRegExp(word);
+ if (!terms.hasOwnProperty(word)) {
+ Object.keys(terms).forEach((term) => {
+ if (term.match(escapedWord))
+ arr.push({ files: terms[term], score: Scorer.partialTerm });
+ });
+ }
+ if (!titleTerms.hasOwnProperty(word)) {
+ Object.keys(titleTerms).forEach((term) => {
+ if (term.match(escapedWord))
+ arr.push({ files: titleTerms[term], score: Scorer.partialTitle });
+ });
+ }
+ }
+
+ // no match but word was a required one
+ if (arr.every((record) => record.files === undefined)) return;
+
+ // found search word in contents
+ arr.forEach((record) => {
+ if (record.files === undefined) return;
+
+ let recordFiles = record.files;
+ if (recordFiles.length === undefined) recordFiles = [recordFiles];
+ files.push(...recordFiles);
+
+ // set score for the word in each file
+ recordFiles.forEach((file) => {
+ if (!scoreMap.has(file)) scoreMap.set(file, {});
+ scoreMap.get(file)[word] = record.score;
+ });
+ });
+
+ // create the mapping
+ files.forEach((file) => {
+ if (!fileMap.has(file)) fileMap.set(file, [word]);
+ else if (fileMap.get(file).indexOf(word) === -1) fileMap.get(file).push(word);
+ });
+ });
+
+ // now check if the files don't contain excluded terms
+ const results = [];
+ for (const [file, wordList] of fileMap) {
+ // check if all requirements are matched
+
+ // as search terms with length < 3 are discarded
+ const filteredTermCount = [...searchTerms].filter(
+ (term) => term.length > 2
+ ).length;
+ if (
+ wordList.length !== searchTerms.size &&
+ wordList.length !== filteredTermCount
+ )
+ continue;
+
+ // ensure that none of the excluded terms is in the search result
+ if (
+ [...excludedTerms].some(
+ (term) =>
+ terms[term] === file ||
+ titleTerms[term] === file ||
+ (terms[term] || []).includes(file) ||
+ (titleTerms[term] || []).includes(file)
+ )
+ )
+ break;
+
+ // select one (max) score for the file.
+ const score = Math.max(...wordList.map((w) => scoreMap.get(file)[w]));
+ // add result to the result list
+ results.push([
+ docNames[file],
+ titles[file],
+ "",
+ null,
+ score,
+ filenames[file],
+ SearchResultKind.text,
+ ]);
+ }
+ return results;
+ },
+
+ /**
+ * helper function to return a node containing the
+ * search summary for a given text. keywords is a list
+ * of stemmed words.
+ */
+ makeSearchSummary: (htmlText, keywords, anchor) => {
+ const text = Search.htmlToText(htmlText, anchor);
+ if (text === "") return null;
+
+ const textLower = text.toLowerCase();
+ const actualStartPosition = [...keywords]
+ .map((k) => textLower.indexOf(k.toLowerCase()))
+ .filter((i) => i > -1)
+ .slice(-1)[0];
+ const startWithContext = Math.max(actualStartPosition - 120, 0);
+
+ const top = startWithContext === 0 ? "" : "...";
+ const tail = startWithContext + 240 < text.length ? "..." : "";
+
+ let summary = document.createElement("p");
+ summary.classList.add("context");
+ summary.textContent = top + text.substr(startWithContext, 240).trim() + tail;
+
+ return summary;
+ },
+};
+
+_ready(Search.init);
diff --git a/_static/sphinx_highlight.js b/_static/sphinx_highlight.js
new file mode 100644
index 0000000..8a96c69
--- /dev/null
+++ b/_static/sphinx_highlight.js
@@ -0,0 +1,154 @@
+/* Highlighting utilities for Sphinx HTML documentation. */
+"use strict";
+
+const SPHINX_HIGHLIGHT_ENABLED = true
+
+/**
+ * highlight a given string on a node by wrapping it in
+ * span elements with the given class name.
+ */
+const _highlight = (node, addItems, text, className) => {
+ if (node.nodeType === Node.TEXT_NODE) {
+ const val = node.nodeValue;
+ const parent = node.parentNode;
+ const pos = val.toLowerCase().indexOf(text);
+ if (
+ pos >= 0 &&
+ !parent.classList.contains(className) &&
+ !parent.classList.contains("nohighlight")
+ ) {
+ let span;
+
+ const closestNode = parent.closest("body, svg, foreignObject");
+ const isInSVG = closestNode && closestNode.matches("svg");
+ if (isInSVG) {
+ span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
+ } else {
+ span = document.createElement("span");
+ span.classList.add(className);
+ }
+
+ span.appendChild(document.createTextNode(val.substr(pos, text.length)));
+ const rest = document.createTextNode(val.substr(pos + text.length));
+ parent.insertBefore(
+ span,
+ parent.insertBefore(
+ rest,
+ node.nextSibling
+ )
+ );
+ node.nodeValue = val.substr(0, pos);
+ /* There may be more occurrences of search term in this node. So call this
+ * function recursively on the remaining fragment.
+ */
+ _highlight(rest, addItems, text, className);
+
+ if (isInSVG) {
+ const rect = document.createElementNS(
+ "http://www.w3.org/2000/svg",
+ "rect"
+ );
+ const bbox = parent.getBBox();
+ rect.x.baseVal.value = bbox.x;
+ rect.y.baseVal.value = bbox.y;
+ rect.width.baseVal.value = bbox.width;
+ rect.height.baseVal.value = bbox.height;
+ rect.setAttribute("class", className);
+ addItems.push({ parent: parent, target: rect });
+ }
+ }
+ } else if (node.matches && !node.matches("button, select, textarea")) {
+ node.childNodes.forEach((el) => _highlight(el, addItems, text, className));
+ }
+};
+const _highlightText = (thisNode, text, className) => {
+ let addItems = [];
+ _highlight(thisNode, addItems, text, className);
+ addItems.forEach((obj) =>
+ obj.parent.insertAdjacentElement("beforebegin", obj.target)
+ );
+};
+
+/**
+ * Small JavaScript module for the documentation.
+ */
+const SphinxHighlight = {
+
+ /**
+ * highlight the search words provided in localstorage in the text
+ */
+ highlightSearchWords: () => {
+ if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight
+
+ // get and clear terms from localstorage
+ const url = new URL(window.location);
+ const highlight =
+ localStorage.getItem("sphinx_highlight_terms")
+ || url.searchParams.get("highlight")
+ || "";
+ localStorage.removeItem("sphinx_highlight_terms")
+ url.searchParams.delete("highlight");
+ window.history.replaceState({}, "", url);
+
+ // get individual terms from highlight string
+ const terms = highlight.toLowerCase().split(/\s+/).filter(x => x);
+ if (terms.length === 0) return; // nothing to do
+
+ // There should never be more than one element matching "div.body"
+ const divBody = document.querySelectorAll("div.body");
+ const body = divBody.length ? divBody[0] : document.querySelector("body");
+ window.setTimeout(() => {
+ terms.forEach((term) => _highlightText(body, term, "highlighted"));
+ }, 10);
+
+ const searchBox = document.getElementById("searchbox");
+ if (searchBox === null) return;
+ searchBox.appendChild(
+ document
+ .createRange()
+ .createContextualFragment(
+ '
' +
+ '' +
+ _("Hide Search Matches") +
+ "
"
+ )
+ );
+ },
+
+ /**
+ * helper function to hide the search marks again
+ */
+ hideSearchWords: () => {
+ document
+ .querySelectorAll("#searchbox .highlight-link")
+ .forEach((el) => el.remove());
+ document
+ .querySelectorAll("span.highlighted")
+ .forEach((el) => el.classList.remove("highlighted"));
+ localStorage.removeItem("sphinx_highlight_terms")
+ },
+
+ initEscapeListener: () => {
+ // only install a listener if it is really needed
+ if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return;
+
+ document.addEventListener("keydown", (event) => {
+ // bail for input elements
+ if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return;
+ // bail with special keys
+ if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) return;
+ if (DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS && (event.key === "Escape")) {
+ SphinxHighlight.hideSearchWords();
+ event.preventDefault();
+ }
+ });
+ },
+};
+
+_ready(() => {
+ /* Do not call highlightSearchWords() when we are on the search page.
+ * It will highlight words from the *previous* search query.
+ */
+ if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords();
+ SphinxHighlight.initEscapeListener();
+});
diff --git a/_static/style.css b/_static/style.css
new file mode 100644
index 0000000..8637512
--- /dev/null
+++ b/_static/style.css
@@ -0,0 +1,11 @@
+.wy-nav-content {
+max-width: 1000px !important;
+}
+
+.red {
+ color:red;
+}
+
+.green {
+ color:green;
+}
diff --git a/capabilities.html b/capabilities.html
new file mode 100644
index 0000000..5e313de
--- /dev/null
+++ b/capabilities.html
@@ -0,0 +1,255 @@
+
+
+
+
+
+
+
+
+
Capabilities — Wannier Berri documentation
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ Wannier Berri
+
+
+
+
+
+
+
+
+
+Capabilities
+Note : This is an incomplete list. Please refer to Documentation for calculators for details.
+
+
+ Automated search for projections
+
+Search for suitable projections based on the symmetry indecators of the DFT bands within the frozen window.
+
+See documentation
+and tutorial for details
+
+
+Integration
+see Calculators for details
+The code may be used to evaluate the following quantities, represented
+as Brillouin zone integrals.
+
+
+
+
+Tabulating
+
+
+
+Fig. 1 Fermi surface of bcc iron, colored by the Berry curvature
+\(\Omega_z\) . Figure produced using FermiSurfer .
+
+
+WannerBerri
can also tabulate certain band-resolved quantities over the
+Brillouin zone producing files Fe_berry-?.frmsf
, containing the Energies
+and Berry curvature of bands 4-9
(band counting starts from zero).
+The format of the files allows to be directly passed to the
+FermiSurfer
visualization tool (Kawamura 2019) which can produce a
+plot like Fig. 1 . Transformation of files to other
+visualization software is straightforward.
+Some of the quantites that are available to tabulate are:
+
+Berry curvature [Å2 ]
+
+\[\Omega^\gamma_n({\bf k})=-\epsilon_{\alpha\beta\gamma}{\rm Im\,}\langle\partial_\alpha u_{n{\bf k}}\vert\partial_\beta u_{n{\bf k}}\rangle;\]
+
+orbital moment of Bloch states [eV·Å2 ]
+
+\[m^\gamma_n({\bf k})=\frac{e}{2\hbar}\epsilon_{\alpha\beta\gamma}{\rm Im\,}\langle\partial_\alpha u_{n{\bf k}}\vert H_{\bf k}-E_{n{\bf k}}\vert\partial_\beta u_{n{\bf k}}\rangle;\]
+
+the expectation value of the Pauli operator [ħ]
+
+\[\mathbf{s}_n({\bf k})=\langle u_{n{\bf k}}\vert\hat{\bf \sigma}\vert u_{n{\bf k}}\rangle;\]
+
+the band gradients [eV·Å] \(\nabla_{\bf k}E_{n{\bf k}}\) .
+Spin Berry curvature [ħ·Å2 ]. Requires an additional parameter spin_current_type
which can be "ryoo"
or "qiao"
.
+
+
+\[\begin{split}\Omega^{{\rm spin};\,\gamma}_{\alpha\beta, n}({\bf k}) = -2 {\rm Im} \sum_{\substack{l \\ \varepsilon_{l{\bf k}} \neq \varepsilon_{n{\bf k}}}}
+\frac{\langle\psi_{n{\bf k}}\vert \frac{1}{2} \{ s^{\gamma}, v_\alpha \} \vert\psi_{l{\bf k}}\rangle
+\langle\psi_{l{\bf k}}\vert v_\beta\vert\psi_{n{\bf k}}\rangle}
+{(\varepsilon_{n{\bf k}}-\varepsilon_{l{\bf k}})^2}.\end{split}\]
+
+
+k-space derivatives of the above quantities (following the paper )
+
+see full list here
+
+
+Evaluation of additional matrix elements
+In order to produce the matrix elements that are not evaluated by a particular ab initio code, the following interfaces
+have been developed:
+
+mmn2uHu
+see documentation for more details
+The wannierberri.utils.mmn2uHu
module evaluates the (.uHu
file) containing the matrix elements needed for orbital moment calculations
+
+\[C_{mn}^{\mathbf{b}_1,\mathbf{b}_2}({\bf q})=\langle u_{m{\bf q}+\mathbf{b}_1}\vert\hat{H}_{\bf q}\vert u_{n{\bf q}+\mathbf{b}_2}\rangle.\]
+on the basis of the .mmn
and .eig
files by means of the sum-over-states formula
+
+\[C_{mn}^{\mathbf{b}_1,\mathbf{b}_2}({\bf q})\approx\sum_l^{l_{\rm max}} \left(M_{lm}^{\mathbf{b}_1}({\bf q})\right)^* E_{l{\bf q}} M_{ln}^{\mathbf{b}_2}({\bf q}).\]
+and the (.sHu
and .sIu
file) containing the matrix elements needed for Ryoo’s spin current calculations(Ryoo, Park, and Souza 2019 )
+on the basis of the .mmn
, .spn
and .eig
files by means of the sum-over-states formula
+
+\[\langle u_{m{\bf q}}\vert\hat{s}\hat{H}_{\bf q}\vert u_{n{\bf q}+\mathbf{b}}\rangle \approx \sum_l^{l_{\rm max}} \left(s_{lm}({\bf q})\right)^* E_{l{\bf q}} M_{ln}^{\mathbf{b}}({\bf q}).\]
+
+\[\langle u_{m{\bf q}}\vert\hat{s}\vert u_{n{\bf q}+\mathbf{b}}\rangle \approx \sum_l^{l_{\rm max}} \left(s_{lm}({\bf q})\right)^* M_{ln}^{\mathbf{b}}({\bf q}).\]
+
+
+vaspspn
+see documentation for more details
+The wannierberri.utils.vaspspn
computes the spin matrix
+
+\[s_{mn}({\bf q})=\langle u_{m{\bf q}}\vert\hat{\sigma}\vert u_{n{\bf q}}\rangle\]
+based on the normalized pseudo-wavefunction read from the WAVECAR
file written by
+VASP
+The wannierberri.utils.mmn2uHu
and wannierberri.utils.vaspspn
modules were initially developed and
+used in (Tsirkin, Puente, and Souza 2018 ) as separate scripts.
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
\ No newline at end of file
diff --git a/genindex.html b/genindex.html
new file mode 100644
index 0000000..137eef5
--- /dev/null
+++ b/genindex.html
@@ -0,0 +1,120 @@
+
+
+
+
+
+
+
+
Index — Wannier Berri documentation
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
\ No newline at end of file
diff --git a/index.html b/index.html
new file mode 100644
index 0000000..5e99b80
--- /dev/null
+++ b/index.html
@@ -0,0 +1,241 @@
+
+
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Wannier Berri — Wannier Berri documentation
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+ Wannier Berri
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+
a code to calculate different properties by means of Wannier interpolation: Berry curvature, orbital moment and derived properties.
+
WannierBerri World Tour is open for applications
+
+
+
+
+Tutorials
+Tutorials in Jupyter notebooks are available on GitHub
+
+
+
+Install via pip
(PyPI ):
+pip3 install wannierberri
+
+
+
+
+Author
+Stepan Tsirkin ,
+Ikerbasque Research Fellow at Materials Physics Center , San Sebastian, Spain.
+
+Contributing to the code
+WannierBerri
is a free open-source projec, under the GNU public
+Licence v2, and everyone is welcome to modify the code to better match
+one’s own needs. Contributions that might be useful for general public
+are encouraged to be submitted via pull request to the
+gitHub repository .
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People — Wannier Berri documentation
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+ Wannier Berri
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+People
+
+Author
+Stepan Tsirkin, Ikerbasque Foundation
+
+
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+Contributed
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+
+Xiaoxiong Liu
+University of Zurich
+Switzerland
+
+
+
+Jae-Mo Lihm,
+Seoul National University
+Republic of Korea
+
+
+
+Patrick Lenggenhager
+Paul Scherrer Institute
+Switzerland
+
+
+
+
+Minsu Ghim,
+Seoul National University
+Republic of Korea
+
+
+
+Miguel Ángel Jiménez Herrera
+University of the Basque Country
+San Seabstian, Spain
+
+
+
+Ji Hoon Ryoo,
+Seoul National University
+Republic of Korea
+
+
+
+
+Julen Ibañez Azpiroz
+Centro de Física de Materiales
+San Sebastián, Spain
+
+
+
+Seung-Ju Hong,
+Seoul National University
+Republic of Korea
+
+
+
+Óscar Pozo Ocaña
+Centro de Física de Materiales
+San Sebastián, Spain
+
+
+
+
+
+
+
+
+Consultants
+
+
+
+
+
+
+Ivo Souza
+Ikerbasque Foundation
+
+
+
+Cheol-Hwan Park
+Seoul National University
+
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Publications using WannierBerri — Wannier Berri documentation
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+ Wannier Berri
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+
+
+ Publications using WannierBerri
+
+
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+
+
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+
+Publications using WannierBerri
+
+Publications doing calculations with WannierBerri
+
+
+
+
[ 1]
+
Daniel Destraz, Lakshmi Das, Stepan S. Tsirkin, Yang Xu, Titus Neupert, J. Chang, A. Schilling, Adolfo G. Grushin, Joachim Kohlbrecher, Lukas Keller, Pascal Puphal, Ekaterina Pomjakushina, and Jonathan S. White. Magnetism and anomalous transport in the weyl semimetal pralge: possible route to axial gauge fields. npj Quantum Materials , 5(1):5, Jan 2020 . URL: https://doi.org/10.1038/s41535-019-0207-7 , doi:10.1038/s41535-019-0207-7 .
+
+
+
[ 2]
+
R. González-Hernández, E. Tuiran, and B. Uribe. Quasinodal lines in rhombohedral magnetic materials. Physical Review B , 2021 . doi:10.1103/PhysRevB.104.205128 .
+
+
+
+
+
[ 5]
+
P.M. Lenggenhager, X. Liu, S.S. Tsirkin, T. Neupert, and T. Bzdušek. From triple-point materials to multiband nodal links. Physical Review B , 2021 . doi:10.1103/PhysRevB.103.L121101 .
+
+
+
[ 6]
+
J.-M. Lihm and C.-H. Park. Wannier function perturbation theory: localized representation and interpolation of wave function perturbation. Physical Review X , 2021 . doi:10.1103/PhysRevX.11.041053 .
+
+
+
[ 7]
+
J. Seo, C. De, H. Ha, J.E. Lee, S. Park, J. Park, Y. Skourski, E.S. Choi, B. Kim, G.Y. Cho, H.W. Yeom, S.-W. Cheong, J.H. Kim, B.-J. Yang, K. Kim, and J.S. Kim. Colossal angular magnetoresistance in ferrimagnetic nodal-line semiconductors. Nature , 599(7886):576–581, 2021 . doi:10.1038/s41586-021-04028-7 .
+
+
+
[ 8]
+
D.-F. Shao, S.-H. Zhang, M. Li, C.-B. Eom, and E.Y. Tsymbal. Spin-neutral currents for spintronics. Nature Communications , 2021 . doi:10.1038/s41467-021-26915-3 .
+
+
+
[ 9]
+
L. Wang, T. Min, and K. Xia. First-principles study of the anomalous hall effect based on exact muffin-tin orbitals. Physical Review B , 2021 . doi:10.1103/PhysRevB.103.054204 .
+
+
+
[ 10]
+
A. Bandyopadhyay, N.B. Joseph, and A. Narayan. Electrically switchable giant berry curvature dipole in silicene, germanene and stanene. 2D Materials , 2022 . doi:10.1088/2053-1583/ac6f63 .
+
+
+
[ 11]
+
L. Chen, L. Pedesseau, Y. Léger, N. Bertru, J. Even, and C. Cornet. Antiphase boundaries in iii-v semiconductors: atomic configurations, band structures, and fermi levels. Phys. Rev. B , 106:165310, Oct 2022 . URL: https://link.aps.org/doi/10.1103/PhysRevB.106.165310 , doi:10.1103/PhysRevB.106.165310 .
+
+
+
[ 12]
+
J.M. Duran-Pinilla, A.H. Romero, and A.C. Garcia-Castro. Chiral magnetism, lattice dynamics, and anomalous hall conductivity in v3aun antiferromagnetic antiperovskite. Physical Review Materials , 2022 . doi:10.1103/PhysRevMaterials.6.125003 .
+
+
+
[ 13]
+
M. Ghim and C.-H. Park. Converging tetrahedron method calculations for the nondissipative parts of spectral functions. Physical Review B , 2022 . doi:10.1103/PhysRevB.106.075126 .
+
+
+
[ 14]
+
H. Park, O. Heinonen, and I. Martin. First-principles study of magnetic states and the anomalous hall conductivity of mnb3 s6 (m=co, fe, mn, and ni) first-principles study of magnetic states . park, heinonen, and martin. Physical Review Materials , 2022 . doi:10.1103/PhysRevMaterials.6.024201 .
+
+
+
[ 15]
+
M. Park, G. Han, and S.H. Rhim. Anomalous hall effect in a compensated ferrimagnet: symmetry analysis for mn3al. Physical Review Research , 2022 . doi:10.1103/PhysRevResearch.4.013215 .
+
+
+
[ 16]
+
S. Roy and A. Narayan. Non-linear hall effect in multi-weyl semimetals. Journal of Physics Condensed Matter , 2022 . doi:10.1088/1361-648X/ac8091 .
+
+
+
[ 17]
+
G.K. Shukla, A.K. Jena, N. Shahi, K.K. Dubey, I. Rajput, S. Baral, K. Yadav, K. Mukherjee, A. Lakhani, K. Carva, S.-C. Lee, S. Bhattacharjee, and S. Singh. Atomic disorder and berry phase driven anomalous hall effect in a co2feal heusler compound. Physical Review B , 2022 . doi:10.1103/PhysRevB.105.035124 .
+
+
+
[ 18]
+
D. Torres-Amaris, A. Bautista-Hernandez, R. González-Hernández, A.H. Romero, and A.C. Garcia-Castro. Anomalous hall conductivity control in mn3nin antiperovskite by epitaxial strain along the kagome plane. Physical Review B , 2022 . doi:10.1103/PhysRevB.106.195113 .
+
+
+
[ 19]
+
L. Wang, K. Shen, S.S. Tsirkin, T. Min, and K. Xia. Crystal-induced transverse current in collinear antiferromagnetic γ-femn. Applied Physics Letters , 2022 . doi:10.1063/5.0069504 .
+
+
+
[ 20]
+
S. Zhang, Y. Wang, Q. Zeng, J. Shen, X. Zheng, J. Yang, Z. Wang, C. Xi, B. Wang, M. Zhou, R. Huang, H. Wei, Y. Yao, S. Wang, S.S.P. Parkin, C. Felser, E. Liu, and B. Shen. Scaling of berry-curvature monopole dominated large linear positive magnetoresistance. Proceedings of the National Academy of Sciences of the United States of America , 2022 . doi:10.1073/pnas.2208505119 .
+
+
+
[ 21]
+
L. Šmejkal, A.B. Hellenes, R. González-Hernández, J. Sinova, and T. Jungwirth. Giant and tunneling magnetoresistance in unconventional collinear antiferromagnets with nonrelativistic spin-momentum coupling. Physical Review X , 2022 . doi:10.1103/PhysRevX.12.011028 .
+
+
+
[ 22]
+
Arka Bandyopadhyay, Nesta Benno Joseph, and Awadhesh Narayan. Berry curvature dipole and its strain engineering in layered phosphorene. 2023. arXiv:2310.20543 .
+
+
+
[ 23]
+
A. Bhattacharya, V. Bhardwaj, M. Bhogra, B.K. Mani, U.V. Waghmare, and R. Chatterjee. First-principles theoretical analysis of magnetically tunable topological semimetallic states in antiferromagnetic dypdbi. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.075144 .
+
+
+
[ 24]
+
M. Bosnar, A.Y. Vyazovskaya, E.K. Petrov, E.V. Chulkov, and M.M. Otrokov. High chern number van der waals magnetic topological multilayers mnbi2te4/hbn. npj 2D Materials and Applications , 2023 . doi:10.1038/s41699-023-00396-y .
+
+
+
[ 25]
+
X.-J. Chen, B.-W. Zhang, D. Han, and Z.-C. Zhong. Electronic and topological properties of kagome lattice lav3si2. Tungsten , 5(3):317–324, 2023 . doi:10.1007/s42864-022-00200-2 .
+
+
+
[ 26]
+
Q. Guillet, L. Vojáček, D. Dosenovic, F. Ibrahim, H. Boukari, J. Li, F. Choueikani, P. Ohresser, A. Ouerghi, F. Mesple, V. Renard, J.-F. Jacquot, D. Jalabert, H. Okuno, M. Chshiev, C. Vergnaud, F. Bonell, A. Marty, and M. Jamet. Epitaxial van der waals heterostructures of cr2 te3 on two-dimensional materials. Physical Review Materials , 2023 . doi:10.1103/PhysRevMaterials.7.054005 .
+
+
+
[ 27]
+
Pushpendra Gupta, In Jun Park, Anupama Swain, Abhisek Mishra, Vivek P. Amin, and Subhankar Bedanta. Self-induced inverse spin Hall effect in La$_0.67$Sr$_0.33$MnO$_3$ films. 2023. arXiv:2310.06967 .
+
+
+
[ 28]
+
N.T. Hai, J.-C. Wu, J.-P. Chou, and J. Pothan. Novel anomalous hall effect mechanism in ferrimagnetic gdco alloy. Journal of Applied Physics , 2023 . doi:10.1063/5.0147302 .
+
+
+
[ 29]
+
S. Karmakar, R. Biswas, and T. Saha-Dasgupta. Giant rashba effect and nonlinear anomalous hall conductivity in a two-dimensional molybdenum-based janus structure. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.075403 .
+
+
+
+
[ 31]
+
M. Kondo, M. Ochi, R. Kurihara, A. Miyake, Y. Yamasaki, M. Tokunaga, H. Nakao, K. Kuroki, T. Kida, M. Hagiwara, H. Murakawa, N. Hanasaki, and H. Sakai. Field-tunable weyl points and large anomalous hall effect in the degenerate magnetic semiconductor eumg2 bi2. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.L121112 .
+
+
+
[ 32]
+
Xiaoxiong Liu, Ivo Souza, and Stepan S. Tsirkin. Electrical magnetochiral anisotropy in trigonal tellurium from first principles. 2023. arXiv:2303.10164 .
+
+
+
[ 33]
+
Xiaoxiong Liu, Stepan S. Tsirkin, and Ivo Souza. Covariant derivatives of berry-type quantities: application to nonlinear transport. 2023. arXiv:2303.10129 .
+
+
+
[ 34]
+
S.B. Mishra and S. Coh. Spin contribution to the inverse faraday effect of nonmagnetic metals. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.214432 .
+
+
+
[ 35]
+
N. Ontoso, C.K. Safeer, F. Herling, J. Ingla-Aynés, H. Yang, Z. Chi, B. Martin-Garcia, I. Robredo, M.G. Vergniory, F. De Juan, M. Reyes Calvo, L.E. Hueso, and F. Casanova. Unconventional charge-to-spin conversion in graphene/ mote2 van der waals heterostructures. Physical Review Applied , 2023 . doi:10.1103/PhysRevApplied.19.014053 .
+
+
+
[ 36]
+
S. Poncé, M. Royo, M. Stengel, N. Marzari, and M. Gibertini. Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.155424 .
+
+
+
[ 37]
+
Z. Qian, J. Zhou, H. Wang, and S. Liu. Shift current response in elemental two-dimensional ferroelectrics. npj Computational Materials , 2023 . doi:10.1038/s41524-023-01026-3 .
+
+
+
[ 38]
+
H. Sawahata, N. Yamaguchi, S. Minami, and F. Ishii. First-principles calculation of anomalous hall and nernst conductivity by local berry phase. Physical Review B , 2023 . doi:10.1103/PhysRevB.107.024404 .
+
+
+
[ 39]
+
E. Triana-Ramírez, W. Ibarra-Hernandez, and A.C. Garcia-Castro. Anionic nickel and nitrogen effects in the chiral antiferromagnetic antiperovskite mn3nin. Physical Chemistry Chemical Physics , 25(21):14992–14999, 2023 . doi:10.1039/d3cp00183k .
+
+
+
[ 40]
+
A.C. Tyner and P. Goswami. Spin-charge separation and quantum spin hall effect of β -bismuthene. Scientific Reports , 2023 . doi:10.1038/s41598-023-38491-1 .
+
+
+
[ 41]
+
Alexander C. Tyner and Pallab Goswami. Solitons and real-space screening of bulk topology of quantum materials. 2023. arXiv:2304.05424 .
+
+
+
+
+
+Publications just citing WannierBerri
+
+
+
+
+
[ '1 ]
+
J. Xiao and B. Yan. First-principles calculations for topological quantum materials. Nature Reviews Physics , 3(4):283–297, 2021 . doi:10.1038/s42254-021-00292-8 .
+
+
+
[ '2 ]
+
Ilias Samathrakis. Topological transport properties of ferromagnetic and antiferromagnetic materials . PhD thesis, Dissertation, Darmstadt, Technische Universität Darmstadt, 2022, 2022.
+
+
+
[ '3 ]
+
X.-Y. Wu, H. Liang, X.-S. Kong, Q. Gong, and L.-Y. Peng. Multiscale numerical tool for studying nonlinear dynamics in solids induced by strong laser pulses. Physical Review E , 2022 . doi:10.1103/PhysRevE.105.055306 .
+
+
+
[ '4 ]
+
J. Kaye, S. Beck, A. Barnett, L. Van Muñoz, and O. Parcollet. Automatic, high-order, and adaptive algorithms for brillouin zone integration. SciPost Physics , 2023 . doi:10.21468/SciPostPhys.15.2.062 .
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Search — Wannier Berri documentation
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<no title> — Wannier Berri documentation
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Speed — Wannier Berri documentation
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+ Wannier Berri
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+Speed
+In this section we will compare the calculation time for the
+calculations of anomalous Hall conductivity using Wannier90 and
+WannierBerri
. We will take the example of bcc Fe and vary different
+parameters. Calculations were performed on identical 32-core virtual
+nodes of the ScienceCloud cluster at University of Zurich. The nodes are
+based on AMD EPYC 7702 64-Core Processors with frequency 2GHz and 128 GB
+RAM per node, and one node was used per task.
+The computation consists of two phases. First, some preliminary
+operations are done. Those include reading the input files and
+performing Fourier transform from ab initio grid \({\bf q}\) to
+real-space vectors \({\bf R}\) :
+eqs. [eq:fourier_q_to_R_H] and
+[eq:fourier_q_to_R] . This operation takes in
+WannierBerri
(postw90) between 2 (3) seconds for the small ab-initio grid
+4x4x4 and 2 (3) minutes for a large grid of 16x16x16. This time is
+mostly taken by reading the large formatted text file Fe.mmn
, and it
+is done only once and does not scale with the density of the
+interpolation grid. In WannierBerri
this is done in the constructor of
+the System\_w90
class, and the object can be saved on disk using a
+pickle
module, so that this operation does not repeat for further
+calculations.
+Next comes the interpolation part itself, for which the evaluation time
+scales linearly with the number of \({\bf k}\) -points used. Further
+the time for an interpolation grid 200x200x200 is given, which is a
+rather good grid to make an accurate calculation for this material.
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+Fig. 2 Computational time for AHC using WannierBerri
(triangles)
+and postw90.x
(circles) for different ab initio grids. For
+postw90.x
the calculations are done with (yellow) and without
+(purple) MDRS. Fpr WannierBerri
the calculations are done with (cyan)
+and without (red) use of symmetries.
+
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+We start with comparing time with the MDRS switched off
+(use_ws_distance=False
) and without use of symmetries in WannierBerri
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+As can be seen in Fig. 2 , for a small abinitio
+\({\bf q}\) -grid 4x4x4 WannierBerri
is just slightly faster then
+postw90.x
. However, for dense \({\bf q}\) -grids the
+computational time of postw90.x
grows linearly with the number of
+\({\bf q}\) points, while in WannierBerri
it stays almost the same.
+This happens because in postw90.x
the Fourier transform is major
+time-consuming routine. On the other hand, in WannierBerri
, although cost
+of the mixed Fourier transform is expected to grow logarithmically with
+the ab-initio grid (see sec-FFT ), we do not see it
+because Fourier transform amounts only to \(\sim 10\) % of the
+computational time.
+Next, we switch on the MDRS method (use_ws_distance=True
) in
+postw90.x
, and the computational time grows by a factor of 5. On the
+other hand the computational time does not change (not shown), just by
+construction, as described in sec-replica .
+Finally let’s switch on the use of symmetries in \({ \tt WannierBerri }\) .
+Thus the computational time decreases by a factor of 8. In the
+ultra-dense grid limit one would expect the speedup to be approximately
+equal to the number of elements in the group — 16 in the present
+example, due to exclusion of symmetry-equivalent \({\bf K}\) -points.
+But this does not happen, because we use an FFT grid of 25x25x25
+\(\boldsymbol{\kappa}\) -points, hence the \({\bf K}\) -grid is
+only \(8x8x8\) , and a considerable part of \({\bf K}\) -points
+are at high-symmetry positions. Therefore they do not have symmetric
+partners to be excluded from the calculation.
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+Fig. 3 Computational time for scanning multiple chemical
+potentials using WannierBerri
and postw90.x
for different ab
+initio grids. MDRS method and symmetries are disabled here.
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+Thus we can see that the difference in computational time with
+postw90.x
and WannierBerri
reaches 3 orders of magnitude for this
+example. Note that The examples above were performed only for the
+pristene Fermi level. Now let’s see what happens upon scanning the
+chemical potential (Fig. 3 ). In WannierBerri
the
+computational time remains practically unchanged when we use upto
+\(N_\mu\approx1000\) chemical potentials, and only start to grow
+considerably at \(N_\mu\sim 10^4\) . On the other hand in
+postw90.x
the computational time significantly grows with
+\(N_\mu\) , which is especially remarkable for small
+\({\bf q}\) -grids.
+In this section we did not use the adaptive refinement procedure.
+However when on starts from a rather dense grid of
+\({\bf K}\) -points, the new \({\bf K}\) -points coming from the
+refinement procedure constitute only a small portion of the initial
+grid, and hence do not contribute much into computational time.
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WannierBerri World Tour — Wannier Berri documentation
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+ Wannier Berri
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+ WannierBerri World Tour
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+WannierBerri World Tour
+During the nearest years I plan to spend more time travelling and making contact with the research groups which are using (or willing to) WanierBerri.
+Therefore, if you have interest in me visiting your group, I am happy to receive an invitation for a visit.
+During a visit I may give a tutorial on the code, talk on my current research, and we may discuss future developments and possible ways of collaboration.
+Applications from remote regions are very welcome. Dates, duration and program of a visit are upon agreement.
+Generally it is assumed that the inviting party pays the travel expenses. However if you are unable to cover them, still feel free to contact me, and we will look for solution.
+Feel free to share this information with anyone who might be interested.
+Best Regards,
+Stepan Tsirkin.
+stepan. tsirkin@ ehu. eus
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