[QE-users] phonon dos

Lorenzo Paulatto paulatz at gmail.com
Sat Dec 5 20:16:27 CET 2020


Dear Sohail,
Why don't you spare us some effort and tell us which error you actually
get, instead of relying on guesswork?

-- 
Lorenzo Paulatto

On Sat, 5 Dec 2020, 12:59 Sohail Ahmad via users, <
users at lists.quantum-espresso.org> wrote:

> Dear QEusers,
>  I am using QE 6.5 and got dispersion curve but it gives error in
> calculating phonon dos
> pls check input, if there is any error
>
> &input
>  asr = 'simple',
>  dos = '.true.',
>  amass(1) = 51.99,
>  amass(2) = 28.08,
>  amass(3) = 58.69,
>  flfrc = 'NiCrSi.fc',
>  fldos = 'NiCrSi.phdos',
>  nk1 = 8, nk2 = 8, nk3 = 8,
> /
>
>
>
>
> ---------------------------------------------------------------------
>
> Dr. Sohail Ahmad
>
> Department of Physics
>
> Faculty of Science, P. O. Box - 9004
>
> King Khalid University
>
> Abha, Saudi Arabia
>
>
> --------------------------------------------------------------------
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>
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