Dear Uzunok,
thanks for the reply. It is working now.
thanks,
On Tue, Dec 26, 2017 at 5:38 PM, Hüseyin Yasin Uzunok <
hyuzu...@sakarya.edu.tr> wrote:
> Please use this attached one instead of yours.
>
> 2017-12-26 13:29 GMT+03:00 pachineela rambabu :
>
>> Dear Uzunok,
>>
Please use this attached one instead of yours.
2017-12-26 13:29 GMT+03:00 pachineela rambabu :
> Dear Uzunok,
>many thanks for the information. But I don't have any
> negative frequencies it seems. Here I am attaching the files, please see
> and tell me where am I wrong?
>
> t
Dear Uzunok,
many thanks for the information. But I don't have any
negative frequencies it seems. Here I am attaching the files, please see
and tell me where am I wrong?
thanks in advance,
On Tue, Dec 26, 2017 at 1:36 PM, Hüseyin Yasin Uzunok <
hyuzu...@sakarya.edu.tr> wrote:
That probably means you have negative values in your elph.in.1 file. Just
open it and change the values to zero and rerun the lambda.x again.
25 Ara 2017 22:14 tarihinde "pachineela rambabu" yazdı:
> Hi, thanQ for your reply. I am getting phonon dispersion now. But getting
> problem in lambda.ou
Hi, thanQ for your reply. I am getting phonon dispersion now. But getting
problem in lambda.out file as follows:
* lambda = 0.919464 (NaN ) = NaN K N(Ef)=
6.988731 at degauss= 0.005 lambda = 0.942358 (NaN ) = NaN K N(Ef)= 7.622487 at degau
For GaN, I use the following q2r.in:
&input
fildyn=“peace.xml"
zasr='simple',
flfrc='gan.fc'
/
6 6 6
28
gan.dyn1
gan.dyn2
gan.dyn3
….
….
Gan.dyn28
You may replace peace with your favourite word.
For matdyn.in, I use the following matdyn.in:
&input
asr='simple',amass(1) = 69.723, amass(
Dear Forum,
I have run a ph.x calculation for phonon dispersion
including spin-orbit coupling using 4x4x4 grid with qe5.4.0. version. At
the end of the calculation, I got dyn files in case.dyn.xml format instead
of case.dyn. Here I am unable to use this case.dyn.xml for further run
