[Pw_forum] Fwd: xsf to pwscf input

Gabriele Sclauzero gabriele.sclauzero at epfl.ch
Thu Jan 26 10:51:41 CET 2012


Forwarding... (@#!^$%&**ç... but it's just my opinion)

Inizio messaggio inoltrato:

> Da: Gabriele Sclauzero <gabriele.sclauzero at epfl.ch>
> Data: 26 gennaio 2012 10.16.53 GMT+01.00
> A: Payam Norouzzadeh <payam.norouzzadeh at gmail.com>
> Oggetto: Re: [Pw_forum] xsf to pwscf input
> 
> Hello Payam,
> 
>     there is something doing that in the PWTK program by Tone Kokalj, see http://pwtk.qe-forge.org/ and search for XSF in the webpage.
> You could search the corresponding code in the script files (should be under pwtk/src/pwi.tcl, see http://qe-forge.org/scm/browser.php?group_id=29) 
> and adapt it to your needs. 
> 
> HTH
> 
> 
> GS
> 
> P.S: please sign including your affiliation too, thanks
> 
> Il giorno 26/gen/2012, alle ore 01.54, Payam Norouzzadeh ha scritto:
> 
>> Hello QE users
>> Is there any way,software,.. to convert xsf file formats(readable by Xcrysden) to input file for PWSCF( just crystal structure and atom coordinates)?
>> Best regards,Payam Norouzzadeh
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
> 
> 
> § Gabriele Sclauzero, EPFL SB ITP CSEA
>    PH H2 462, Station 3, CH-1015 Lausanne
> 
> 
> 
> 
> 
> 
> 


§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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