K-point and DOS

jts2t... at gmail.com jts2t... at gmail.com
Wed Jun 28 15:49:38 UTC 2017


In the &PRINT subsection of subsection &DFT, add two lines "&PDOS LOW .     
 &END PDOS" to get the pdos file.

在 2017年6月28日星期三 UTC+8下午1:15:15,young... at gmail.com写道:
>
>  Dear cp2k users, I want to calculate  the DOS ,however, when  I add 
> k-point to my system,  it can't print out the ".pdos" file, can you tell me 
> how to obtain the DOS data when using k-point?
>
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