[Pw_forum] how to set k_point
华 李
lvtieyu1975 at yahoo.com.cn
Sat Aug 14 11:12:54 CEST 2004
Dear all:
I'm a new user of PWSCF. I want to know how to set the K_POINTS. I have read the INPUT_PW. In example1, I adjusted input_file of Si ( si.scf.cg.in).
**************************************************
..........
K_POINTS{automatic}
10 10 10 0 0 0
**************************************************
I did self-consistent calculation and band structure calculation . Then I got a wrong result of band-gap. why?
tylv
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