[Q-e-developers] Patch for pwi2xsf for NEB input

Tone Kokalj tone.kokalj at ijs.si
Fri Feb 12 17:40:38 CET 2016


On Wed, 2016-02-10 at 11:33 +0100, Pietro Bonfa' wrote:
> Dear All,
> 
> the pwi2xsf tool included in the last release of QE fails to parse a
> neb.x input file.

Dear Pietro,

Thank you very much for the patch. Neither the pwi2xsf nor the xcrysden
are yet able to understand the neb syntax.

Best regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html





More information about the developers mailing list