[Pw_forum] Resuming Electron-phonon calculations after calculation's unintentional end

Sridhar Sadasivam sridhu88 at gmail.com
Sat Apr 30 23:44:24 CEST 2016


You can set recover = .true. to restart the calculation.

Sridhar
Purdue University

On Sat, Apr 30, 2016 at 4:57 AM, Hüseyin Yasin Uzunok <
hyuzunok at sakarya.edu.tr> wrote:

> Dear All,
> While I was calculating dynamical matrices an accident has occured and i
> ended unintentionally at the 25th mode. So I need to resume  the
> calculation where it ended before, but i couldn't find it how. Could you
> help me to resume the calculation? My input file is mentioned below.
> Yours.
>
>
>
>
>
> cat > elph.in <<EOF
> el-phonons in  La
>  &inputph
>    tr2_ph=1.0d-14,
>    alpha_mix(1)=0.200,
>    prefix='La'
>    fildvscf='La.dv',
>    trans=.true.,
>    electron_phonon='interpolated',
>    el_ph_sigma=0.002,
>    el_ph_nsigma=10,
>    amass(1)= 138.910000,
>      outdir='$HOME/murx/La/'
>    fildyn='La.dyn5'
>  /
> 0.250000000000000E+00  -0.500000000000000E+00   0.108648413733159E+00
>
>
> --
> -----------------------------------------------------------
>
>
>
> *Arş. Gör. H. Yasin UZUNOK*
>
>
> *Sakarya Üniversitesi Fizik Bölümü*
> *tel:0.264.295 6192*
> --------------------------------------------------
>
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> Pw_forum at pwscf.org
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>
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