[Pw_forum] Re : Problem with the Band Structure Calculation

Djani Ait Aissa Hania djaithania at yahoo.fr
Sat Mar 7 10:31:24 CET 2009


I4/mmm ,  ibrav=7

hania Djani
CDTA




________________________________
De : O. Baris Malcioglu <baris.malcioglu at gmail.com>
À : PWSCF Forum <pw_forum at pwscf.org>
Envoyé le : Vendredi, 6 Mars 2009, 9h46mn 11s
Objet : Re: [Pw_forum] Problem with the Band Structure Calculation

Dear 潘登,

Just to be sure, did you check if the K-Points are what you expect to
see in the -output- file?

Baris,
SISSA

On Fri, Mar 6, 2009 at 8:33 AM, 潘登 <panda.deng.pan at gmail.com> wrote:
> Dear Lex,
>
>> If you plot your structure with XCrySDeN or something else, does it look
>> right?
>>
>
> I have done it and compared to the structure which is generated by
> WIEN2k with the same structure.They all look the same.
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