[Pw_forum] second call: A problem in calculating x phonons

[Mamindla Ramesh]

Hi,
please follow attached tutorial.

On Fri, Sep 30, 2016 at 11:21 PM, Abdullah N. Albarakati <
anbarakati at uqu.edu.sa> wrote:

> Dear Mamindla Ramesh,
>
> Thank you for quick response,
> I have did what you recommended, but the problem is still. The attached
> files are input, out and crash files.
>
> Abdullah
>
>
> ------------------------------
> *From:* pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf
> of Mamindla Ramesh [ph14resch11002 at iith.ac.in]
> *Sent:* Friday, September 30, 2016 7:31 AM
> *To:* PWSCF Forum
> *Subject:* Re: [Pw_forum] second call: A problem in calculating x phonons
>
> Hi,
> please do not calculate nscf and after scf calculation do ph.x
>
> On Fri, Sep 30, 2016 at 6:39 AM, Abdullah N. Albarakati <
> anbarakati at uqu.edu.sa> wrote:
>
>> Dear experts,
>>
>> I want to calculate x photons as described below:
>>
>> first run scf calculation, then a nscf calculation, then a ph.x run for a
>> while and then stopped.
>>
>> the output is below:
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> %%%%%%%%%%%%%%%%%%%
>>      Error in routine set_irr_sym_new (5722):
>>      wrong representation
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> %%%%%%%%%%%%%%%%%%%
>>
>>      stopping ...
>>
>> what should I do?
>>
>> thank you in advance,
>>
>> Abdullah
>>
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>
>
>
> --
> M. Ramesh
> Research Scholar
> Department of Physics
> IIT Hyderabad
>
> ------------------------------
>
> This email and any files transmitted with it are confidential and intended
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> If you have received this email in error please notify Email System
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-- 
M. Ramesh
Research Scholar
Department of Physics
IIT Hyderabad
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