Dear Wien users and developers and Prof. Blaha,
I am interested to use Efield in case.in0. I do not know whether anyone
has used this option recently. I would appreciate it if you could
share some experience with me.
I followed Prof. Blaha's PRB paper
Here is my case.in0.
TOT 13 1.00 (5:LDA, 13:PBE, 11:WC, 19:PBEsol, 28:mBJ, 29:revTPSS, 46:HTBS)
NR2V IFFT (R2V)
27 27 160 2.00 1 min IFFT-parameters, enhancement factor, iprint
900 0.001 1
(1) I tested it on a slab with vacuum along the z axis When I change
efield, my spin moment does not
900 0.1 1 spin moment 10.66455 uB
900 0.001 1 spin moment 10.66455 uB
(2) Efield should be a vector, but when I looked at the code, and I found
that the efield in wien has no direction. I understand the wien wants to
expand the field in G space and then adds it to the total potential.
I look at epot1.f in both Wien2k_14 and Wien2k_13; there is no difference
that the efield only has an amplitude.
Thank you very much for your help in advance!
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