[Pw_forum] Resuming Electron-phonon calculations after calculation's unintentional end
Hüseyin Yasin Uzunok
hyuzunok at sakarya.edu.tr
Sun May 1 10:26:46 CEST 2016
Thank you very much.. ıt was quite helpful.
2016-05-01 0:44 GMT+03:00 Sridhar Sadasivam <sridhu88 at gmail.com>:
> 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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>>
>
>
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--
-----------------------------------------------------------
*Arş. Gör. H. Yasin UZUNOK*
*Sakarya Üniversitesi Fizik Bölümü*
*tel:0.264.295 6192*
--------------------------------------------------
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