[Wien] join_vectorfiles and fold2bloch mismatch
Marcus Ekholm
marcus.ekholm at liu.se
Thu Sep 9 14:25:37 CEST 2021
Dear all,
I have an issue with fold2bloch and join_vectorfiles (Wien2k 21.1)
I have 4 vectorfiles after lapw1 -band. I can run fold2bloch on each file individually:
fold2Bloch -c case.vectorup_X 2:2:2
where X=1..4, and the sum of the processed k-points equals the number of k-points in the case.klist(_band) file.
However, if I try to join the vectorfiles with
x joinvec -up
or
x join_vectorfiles -up
the resulting case.vectorup file seems to include too few points (120 points out of 338).
Am I using joinvec in the wrong way?
Best regards,
Marcus
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