[Pw_forum] XSpectra can not run

[Yu Zhang]

hi, Paolo,
      Thank Matteo and you very much! Well, I got some similar reading 
error when I tried to do XSpectra calculation with my own input file. 
Could you please see the post
http://www.democritos.it/pipermail/pw_forum/2011-April/020020.html
  for me (I apologize if you've already seen it)? Thank you very much!
best wishes
Yu Zhang

On 04/08/2011 12:18, Paolo Giannozzi wrote:
> On Apr 8, 2011, at 20:49 , Yu Zhang wrote:
>
>> This really solves my problem! Thank you very much.
> you should thank Matteo Calandra, not me
>
>> Could you please explain briefly what the cause  of the problem is?
> the problem is that some recent changes to the initialization of FFT
> grids, G-vectors, and other basic stuff, had not been propagated
> to that particular routine. I had forgotten that XSpectra uses a
> different routine to read the data file from all other QE codes.
> Just an overlook.
>
> Paolo
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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