[Pw_forum] About: the system is metallic, specify occupations?

Rahmat Gunawan s305igun at mail.chem.itb.ac.id
Wed Nov 22 10:29:19 CET 2006


Drea PW_Forum

Thanks to Giovanni for your suggestion, it is clear to me.

Success for your research

Sincerely Yours

Rahmat Gunawan


> Rahmat Gunawan wrote:
>> I need your help, is it true input? because at output file write: "the
>> system is metallic, specify occupations?" I do not understand about this
>> statements.
>>
>> Thanks very much, succes for your research
>>
>>
>>
> You may want to have a look to the user guide, pag. 56 (sec.
> Troubleshooting)
>
> http://www.pwscf.org/guide/3.1.1/other/users-guide-3.1.1.pdf
>
> to the Doc/INPUT_PW file, as well as to examples/example01 where a
> couple of examples on how to deal with metallic systems are given.
>
> Giovanni
>
> --
>
>
>
> Dr. Giovanni Cantele
> Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
> Universita' di Napoli "Federico II"
> Complesso Universitario di Monte S. Angelo - Ed. G
> Via Cintia, I-80126, Napoli, Italy
> Phone: +39 081 676910
> Fax:   +39 081 676346
> E-mail: Giovanni.Cantele at na.infn.it
> Web: http://people.na.infn.it/~cantele
>
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