em... I found 4 kpoints in IBZ.
in scf:
Pb:
:E2_0001: E( 2)= -0.8650 E(BOTTOM)= -0.940 E(TOP)= -0.790
APW+lo
:E2_0001: E( 2)= 0.3000
LOCAL ORBITAL
:E0_0001: E( 0)= 0.3000
APW+lo
:E1_0001: E( 1)= 0.3000 ---? is this incorrect?
APW+lo
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lilonghua
2009-05-19