[Pw_forum] Question on supercell calculation of MgB2
张 洪彬
leoant21 at hotmail.com
Wed Sep 28 02:56:47 CEST 2005
Dear all:
Now I am doing a 2*2 supercell calculation of MgB2, however, there is a
warning like this:
Warning: ef = 1.818386 is above the highest band at k-point 490
e = 1.780277
and there are also warning on other k-points, but not all. Please tell me
why. Thank you.
Regards.
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