Dear Prof. Blaha,
According to WIEN2k v09.1 and v08.3, if the EFIELD variable in
case.in0 is set to 1.0,
then difference of total potential (I generated it using lapw5 ATU VAL
options) with
EFIELD=1.0 and without EFIELD line, shows up a zig-zag variation in a
unit cell from
0.5 to -0.5 (for
You must multiply by 4 ! (because field varies from +100 to -100 and
since it is a zig-zag, it varies in half the period)
zhao schrieb:
Dear Prof. P. Blaha,
In your paper, PRB-63-165205(2001), you say that external potential
100mRy corresponds to 700 kV/mm. When I tried to get this unit
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