[Pw_forum] Electron-Phonon: Two questions

Paolo Giannozzi giannozz at nest.sns.it
Wed Oct 5 14:55:35 CEST 2005


On Wednesday 05 October 2005 11:24, Miguel Martínez Canales wrote:

> Maybe this has something to do with the other el-ph thread.
> Anyway, with the test job I'm providing, I get the following nscf 
> output. Am I using a kpoint grid that is too large?

>   from set_kplusq : error #     22880
>   too many k points

definitely so. The maximum allowable number of k-points is 
statically defined in variable npk, in Modules/parameters.f90.
You have to increase it and to recompile. 

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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