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From: Wien on behalf of Mikhail
Nestoklon
Sent: Sunday, July 5, 2020 15:35
To: A Mailing list for WIEN2k users
Subj
Dear wien2k community,
I am trying to use lapw7 to plot a particular wave function for the case with
spin-orbit switched on. In the manual it is mentioned that "It should be easy
to run lapw7 in parallel mode, and/or to apply it to wave function data obtained
by a spin-orbit interaction
Hi,
Sorry for a long question.
What I want to do is find out parity eigenvalues of wave functions (with
SOC turned on) at 8 time reversal invariant points for space groups with
non-symmporphic group operations. I've tried a few workaround without luck.
x irrep does not work for k-points on the
The Wien2k userguide for case.in7(c) has format(A3,1X,A3,1X,A5) for
the switch iunit whpsi line.
If you have
ABS ANG LARGE
The first A3 reads ABS (three places). The second format input 1X reads
the one blank space (one place) between ABS and ANG.
For
RE ANG LARGE
The A3 needs to read RE
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