Dear Researchgate community,

I am trying to perfom phonon calculation in Quantum Espresso for my structure. However, not all files are created during this process. I one case, file "matdyn2" was not created. Here is the input of a recovery run:

&inputph

tr2_ph=1.0d-12,

fildvscf='aldv'

prefix='FiveProc',

outdir='FiveDir',

verbosity='high',

max_seconds = 169200,

recover=.true.,

electron_phonon='interpolated'

el_ph_sigma=0.0001,

el_ph_nsigma=50,

trans=.true.,

ldisp=.true.,

nq1=8, nq2=8, nq3=1,

/

Do you have any ide what is the reason?

More Piotr Szkudlarek's questions See All
Similar questions and discussions