e any suggestion,
thank you!
Francesco Delodovici, CentraleSupelec, Universitè Paris-Saclay.
##
&control
calculation='scf'
restart_mode='from_scratch',
pseudo_dir = './pseudop/',
outdir='./'
does not complete within 24 hours,
so I wonder: can I change the parallelization options in order to obtain a
better scaling?
What would be a better setting?
I appreciate any suggestion, even though I know that parallelization does not
perform miracles.
Thank you,
Francesco Delodovici
Thank all of you very much for your help.
Concerning what prof. Sitangshu suggestion: the raising of the cutoff over
plane waves works, now I can recover the right
(semi)quadratic dispersion for the acoustic out-of-plane phonons. I used
smeared occupation because if not
effective charges are co
vanishing wave vector?
I'm using quantum espersso v6.0.
Find attached below the input file for vc-relax and phonons.
Any suggestion will be appreciated,
thank you!
Francesco Delodovici, Phd Student
Università degli studi di Milano
VC RELAX ###
