Search found 11 matches

by weihua-xiao
Thu Apr 08, 2021 12:11 pm
Forum: General discussion
Topic: Si transport problem with carrier concentration
Replies: 4
Views: 4167

Re: Si transport problem with carrier concentration

thank you for your reply scattering_serta = .true. it will computes scattering rates in the self-energy relaxation time approximation. iterative_bte = .true. it will compute the iterative Boltzmann Transport Equation. i didn't show the complete output, EPW compute the iterative Boltzmann Transport E...
by weihua-xiao
Thu Apr 08, 2021 1:25 am
Forum: General discussion
Topic: Si transport problem with carrier concentration
Replies: 4
Views: 4167

Re: Si transport problem with carrier concentration

my mistake
Si is not a polar material .
I had modified epwinput, But the result is almost the same as before.
by weihua-xiao
Tue Mar 23, 2021 1:50 am
Forum: General discussion
Topic: Si transport problem with carrier concentration
Replies: 4
Views: 4167

Si transport problem with carrier concentration

Dear all Recently, I plan to calculate mobility of Si with different carrier concentration, but the result seem wrong and inconsistent with this paper https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.121201 I use EPW v 5.2.0 following is my input file, how should i modify it. scf.in &contro...
by weihua-xiao
Tue Jul 14, 2020 11:05 am
Forum: General discussion
Topic: Group velocity of electron
Replies: 0
Views: 5758

Group velocity of electron

Dear all

How to output the mode resolved group velocity of electron in EPW
by weihua-xiao
Wed Jul 08, 2020 4:06 pm
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 8811

Re: 2D WSe2 e-p coupling

Dear H. Lee: The keyword of write_bvec is true in wse2.win final part of wse2.wout Delta: O_D= -0.3215106E-01 O_OD= 0.1539013E-02 O_TOT= -0.3061205E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 300 WF centre and spread 1 ( 1.796369, 1.209797, 10.1...
by weihua-xiao
Wed Jul 08, 2020 7:49 am
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 8811

Re: 2D WSe2 e-p coupling

the version of EPW is v5.2
by weihua-xiao
Wed Jul 08, 2020 7:41 am
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 8811

Re: 2D WSe2 e-p coupling

wse2.bvec is empty file.
by weihua-xiao
Wed Jul 08, 2020 7:37 am
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 8811

Re: 2D WSe2 e-p coupling

Dear H. Lee I made a mistake in the atomic mass and made a modification, but error is the same. The new input file is below. epw.in -- &inputepw prefix = 'wse2' amass(1) = 78.96 amass(2) = 183.84 outdir = './' iverbosity = 0 elph = .true. epbwrite = .true. epbread = .false. epwwrite = .true. epwread...
by weihua-xiao
Sun Jul 05, 2020 4:37 pm
Forum: General discussion
Topic: 2D WSe2 e-p coupling
Replies: 13
Views: 8811

2D WSe2 e-p coupling

Dear all Recently, I plan to calculate phonon linewidth of WSe2 , but it always reporting errors. following is my input file,how should I modify it . scf.in &control calculation = 'scf' prefix = 'wse2' restart_mode = 'from_scratch' pseudo_dir = '../pp' outdir = './' forc_conv_thr = 1.0d-6 / &system ...
by weihua-xiao
Sun Jul 05, 2020 8:32 am
Forum: General discussion
Topic: Electron linewidth
Replies: 2
Views: 2454

Re: Electron linewidth

Dear H. Lee
thank you for your answer