[Pw_forum] query on k-points with MP

Peter Wang yunpengwang at live.com
Tue Jan 10 05:33:32 CET 2012


You can give k-points in input file explicitly, that is, you write them one 
by one. I think this may work.

Yun-Peng

-----原始邮件----- 
From: Ajit Vallabhaneni
Sent: Tuesday, January 10, 2012 7:38 AM
To: PWSCF Forum
Subject: [Pw_forum] query on k-points with MP

Dear users,

           I am doing some scf calculations with K-points specified by the 
Monkhorst-Pack grid scheme. In the output file,  only the k-points in the 
IBZ are shown. Is there any way i can see all the K-points in the entire BZ? 
I just want to make sure certain K points are included.


Thanks
Ajit
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