[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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