[Pw_forum] Problem with q2r.x running

Paolo Giannozzi giannozz at nest.sns.it
Sun Dec 9 22:17:29 CET 2007

On Dec 7, 2007, at 4:06 , Viet Bac wrote:

> Dear Dr. Paolo [...]
> I found that when I decrease the threshold for SC in el-ph  
> calculation tr2_ph =1e-14,
> q2r.x cannot read a2Fq2r data. It works with tr2_ph =1e-10. So  
> could you please help
> me to solve this problem from q2r.f90?

no I cannot. You can: look what is different between the two cases

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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