[Pw_forum] some querries about pwcond

ambavale sagar sagarambavale at yahoo.co.in
Sat Oct 4 06:46:27 CEST 2008


Dear all,
I have some queries about pwcond input file.

1.how k-perpendicular points are defined. (can you give any example except 'number of k-perpendicular points = 1' used in example 12) 
2. How weight is defined here for k-points? maximum weight?
3.how ecut2D (2-D cut off) it effects the calculation.

Thanks.

Best regards
Sagar Ambavale
Research student
The M.S. University of Baroda





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