[Pw_forum] merging results of individual k points phonon calculation

Paolo Giannozzi giannozz at democritos.it
Sun May 30 16:59:02 CEST 2010


On May 30, 2010, at 16:55 , Payam Norouzzadeh wrote:

> Because of restriction on running time I want to do phonon  
> calculations for each k point individually and then merge the  
> results to have one file for force constants,...
> Is there any utility available to do that?what is the procedure?


in recent versions, see examples/GRID_example/

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






More information about the users mailing list