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how to set fsthick and.....
Posted: Thu Oct 13, 2022 11:53 am
by 1504463450
Dear friends
Is there any skill and basis for setting parameters "fsthick", wscut" and" muc" in EPW calculation?
Yours sincerely
Shi
Re: how to set fsthick and.....
Posted: Fri Oct 14, 2022 1:40 pm
by hpaudya1
Hi Shi,
You need to get your results converged with respect to fsthick and wscut. Typically, we use;
fsthick = 4 times the maximum phonon frequency (and also please set your degaussw to 1/4 of fsthick)
wscut = 10 times the maximum phonon frequency
and
muc = 0.1 to 0.2 (you can compare your Tc with expt. to estimate muc)
I hope it helps.
Happy EPWing,
Hari
Re: how to set fsthick and.....
Posted: Wed Dec 14, 2022 7:13 am
by Kunsa
How to get maximum phonon frequecy for wscut setting? when I see ph.out file it is too big 10HZ. Any one help me?
Re: how to set fsthick and.....
Posted: Wed Dec 14, 2022 2:34 pm
by hpaudya1
Hi Kunsa,
By default, Quantum ESPRESSO prints phonon frequency in THz and cm-1 units. Look at them, and find what is the maximum (no need of exact value). For e.g. in MgB2, I get ~800 cm-1 maximum phonon frequency, which is ~0.099184 eV and choose wscut = 1 eV (which is close to 10 times max. ph freq.).
I hope it helps.
Happy EPWing,
Hari