wyanchao at gmail.com
Thu Nov 23 13:45:11 CET 2006
when I used run_pp to caculate the densety of charge,I found a qustion
that the number of points are 55 55 55 in output file.but in fact what I
input the nx,ny,nz is100,100,100.then I read the code of PP,I found that 55
55 55 is nr1+1 nr2+1 nr3+1.I think "nr" is the K_point.In fact I
,however,caculated the K_point is gamma.This make me confused.In an addtion
,I found the value of nx,ny nz is limited in code of PP.the max value is
64.I do not know the reson why it choose this value.If you know ,please tell
me .Thank you in advance.
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