Skip to content

Commit

Permalink
modified input to work with new changes
Browse files Browse the repository at this point in the history
  • Loading branch information
saurabh-s-sawant committed Dec 11, 2024
1 parent 365dabe commit 52e0174
Showing 1 changed file with 12 additions and 11 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -32,22 +32,23 @@ my_constants.Overlap_unitcells = 12

my_constants.Vds = 0. #Drain-Source voltage [V]
my_constants.Vgs_min = -4
my_constants.Vgs_max = 12
my_constants.Nsteps = 65
my_constants.Vgs_max = 8
my_constants.Nsteps = 25
my_constants.dt = 1./(Nsteps-1)

plot.folder_name = /global/cfs/projectdirs/m4540/eXstatic/1x_spacing/parallel_5CNTs
plot.write_after_init = 0
plot.write_interval = 10000

transport.flag_compute_DOS = 1 #DOS, Transmission, Conductance
transport.flag_write_LDOS = 0
transport.flag_write_LDOS_iter = 0
transport.write_LDOS_iter_period = 10

restart = 0
restart_step = 0

NS_default.initialize_charge_distribution = 0

NS_default.flag_compute_DOS = 1 #DOS, Transmission, Conductance
NS_default.flag_write_LDOS = 0
NS_default.flag_write_LDOS_iter = 0
NS_default.write_LDOS_iter_period = 10
##################################
##### USER DEFINED CONSTANTS #####
##################################
Expand Down Expand Up @@ -252,14 +253,14 @@ transport.NS_type_default = CNT
transport.NS_gather_field = phi
transport.NS_deposit_field = charge_density
transport.NS_initial_deposit_value = 1.e-3
transport.selfconsistency_algorithm = broyden_second
transport.Broyden_fraction = 0.1
transport.Broyden_max_norm = 1.e-5
transport.Broyden_norm_type = relative
transport.selfconsistency_algorithm = broyden_second
transport.reset_with_previous_charge_distribution = 1
transport.initialize_inverse_jacobian = 0
transport.gate_terminal_type = Boundary
transport.Broyden_threshold_maxstep = 100
transport.reset_with_previous_charge_distribution = 1

NS_default.gate_terminal_type = Boundary

NS_default.num_unitcells = N_unitcells
NS_default.rotation_order = Z
Expand Down

0 comments on commit 52e0174

Please sign in to comment.