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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