[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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