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

Pietro Bonfa' pietro.bonfa at fis.unipr.it
Sat Feb 13 18:36:27 CET 2016


Dear Dr. Tone Kokalj,

I'm sorry, I don't understand your last sentence.
With the patch I sent you I can correctly open an neb input file and
xcrysden shows all the images as animation steps. Why do you say that
neither pwi2xsf nor xcrysden can open it? Is there a problem with my code?

Thanks,
Pietro



On 02/12/2016 05:40 PM, Tone Kokalj wrote:
> 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
> 


-- 
Pietro Bonfa'
Dipartimento di Fisica e Scienze della Terra "Macedonio Melloni"
Viale delle Scienze 7A
43124 Parma - Italy



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