I think we (collectively) may be confusing things by offering too much
advice!
Let's keep it simple, and focus on one thing at a time. The "mpirun not
found" has nothing to do with compilers. It is 100% due to your not having
the PATH variable set right. This is not fftw, but probably in the
The 2i5 is that in reference to line 4 seen on page 214 of the WIEN2k
21.1 usersguide [1] (which looks like it has not changed from that of
WIEN2k 19.2 for that)?
In x_lapw under case tetra, it looks like case.int is unit 5.
In SRC_tetra/tetra.f, it looks like it is reading free form on line
Dear all,
I had a problem (WIEN2k v19.2) with a DOS calculation: the DOS values were all
zeros in the output files and the covered volume was 0%.
The command I used was: x tetra -hf, as a command line (not with the web GUI).
I saw in the mailing-list that it could be a problem of file format,
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