Dear Developers and Users,
I work on clusters (no periodic system). I want to calculate wave function
at gamma and gamma+q that q is very small. For gamma, it is OK. But for
gamma+q (for example q=0.05 in the x direction), I set K_POINTS card like
this
K_POINTS crystal
1
0.05 0.0 0.0 1
It is so strange that the number of k-points change to 3, while it isn't my
favourite.
In the output file it was written:
number of k points= 3
cart. coord. in units 2pi/alat
k( 1) = ( 0.0500000 0.0000000 0.0000000), wk = 0.6666667
k( 2) = ( 0.0000000 0.0500000 0.0000000), wk = 0.6666667
k( 3) = ( 0.0000000 0.0000000 0.0500000), wk = 0.6666667
Any comment is really appreciated.
Eliya
Posdoc, IPM, Tehran, Iran
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