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@fenneltheloon
fenneltheloon committed Jun 1, 2023
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1 change: 1 addition & 0 deletions .gitignore
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.ipynb_checkpoints
6 changes: 6 additions & 0 deletions output.csv
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dir,workDir,nrg,nConv,irredKpts,aV,bV,cV,alpha,beta,gamma,vol
/mnt/KGroup/home/emeltzer/CdTe-1/098,098,-19.10940119,1,10,6.49646691318799999999,6.49646691318799999999,6.49646691318799999999,90,90,90,274.17742461517374070007
/mnt/KGroup/home/emeltzer/CdTe-1/099,099,-19.20292618,1,10,6.56275739189399999999,6.56275739189399999999,6.56275739189399999999,90,90,90,282.65654715156786864690
/mnt/KGroup/home/emeltzer/CdTe-1/100,100,-19.23102073,1,10,6.62904787060000000000,6.62904787060000000000,6.62904787060000000000,90,90,90,291.30870705995561022628
/mnt/KGroup/home/emeltzer/CdTe-1/101,101,-19.20594815,1,10,6.69533834930599999999,6.69533834930599999999,6.69533834930599999999,90,90,90,300.13565219257932517173
/mnt/KGroup/home/emeltzer/CdTe-1/102,102,-19.13116658,1,10,6.76162882801199999999,6.76162882801199999999,6.76162882801199999999,90,90,90,309.13913040168137321699
122 changes: 122 additions & 0 deletions quadratic-fitting.ipynb

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