Colleagues,
In my first attempt to run wannier, I've encountered the following error
message triggered by "write_inwf" when running "init_w2w" (without
quotes):
***********************************************************************************************************
write_inwf
File "/work/jspirko/WIEN2k-14.2-20141018/write_inwf", line 145
except KeyError as e:
^
SyntaxError: invalid syntax
***********************************************************************************************************
The test case was fully converged ZnO. Afterwards, "prepare_w2wdir
TARGET" generated the expected files in TARGET, cd to TARGET was
followed by "init_w2w:, x kgen -fbz and x findbands was done, chose
range Emin = -0.1 eV and Emax = 0.0 eV at VBM, and then "write_inwf"
gave the above error.
Note 1: wannier90 is installed
Note 2: I have checked the mailing list for a similar error but found
none.
Any instruction for a fix would be highly appreciated. Why does the
caret appear in the error message?
Regards,
Kamil Klier
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