[Pw_forum] xsf to pwscf input

[Giovani Faccin]

Software I'm not sure. But "a way" would be to open the xsf file in a text
editor and copy/paste the information you need into a pw input file.

The atomic coordinates in the real space are located after the  PRIMCOORD
flag. The primitive cell vectors are after the  PRIMVEC flag. If it's just
a one time thing, maybe you can handle it this way.

Regards,

Giovani Faccin

CPPP/UFMS
Brazil


2012/1/25 Payam Norouzzadeh <payam.norouzzadeh at gmail.com>

> 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
>
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