[Pw_forum] K_POINTS automatic

[zahra vatankhah]

Dear all,
I have a question about sk1,sk2,sk3 in K_POINTS automatic. what is the
difference between two options of sk,0 or 1.
for example what is the difference between:
K_POINTS automatic
20 20 1  1 1 1
and
K_POINTS automatic
20 20 1  0 0 0

each option (111 or 000) gives different fermi energy, which one is the
correct fermi for the structure?

Thanks in advance,
Vatankhah
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121203/bc5bab54/attachment.html>