[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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