EPW Forum

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 ...

my mistake
Si is not a polar material .
I had modified epwinput, But the result is almost the same as before.

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 ...

Dear all

How to output the mode resolved group velocity of electron in EPW

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 ...

the version of EPW is v5.2

wse2.bvec is empty file.

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 ...

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 ...

Dear H. Lee
thank you for your answer