[Pw_forum] Question on occupation method!

张 洪彬 leoant21 at hotmail.com
Sun Jun 5 02:34:03 CEST 2005


Dear all:
  When I perform a calculation on the system with space group R-3m and 
choose Occupations=tetrahedra, the program cannot do the calculation and 
give me the error message below: 
     from tetrahedra:error#1
     cannot remap grid on K-point list
where I have tried several types of K-points, say, autogenerated 1*1*1, 
7*7*7,gamma point only. So plz tell me what's wrong.

Regards
Hongbin Zhang

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