[Pw_forum] unknown mode symmetry in phonon calculation
Khalid Ibne Masood Khalid
kimu206 at gmail.com
Sun Aug 16 13:41:58 CEST 2015
Dear Sir,
I am using quantum espress 5.1.1 on windows.
Thank you.
Khalid
M. Sc student
BUET
On Sun, Aug 16, 2015 at 4:52 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:
> Code versions?
>
> On Sun, Aug 16, 2015 at 12:24 PM, Khalid Ibne Masood Khalid <
> kimu206 at gmail.com> wrote:
>
>> Dear Researchers,
>> I am trying to calculate phonon dispersion of my material, but when I run
>> ph.x, it gives the following error:
>>
>> Error in routine find_mode_sym (1):
>> unknown mode symmetry
>>
>> The crystal was fully relaxed and there was no problem in the system.
>>
>> Would you please suggest me what can I do regarding this problem.
>>
>> Thank you.
>> Khalid
>> M. Sc student
>> BUET
>>
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>
>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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