Prof. Blaha,
For WIEN2k_18, please check SRC_joint/joint.f to see if the following
problem in WIEN2k 17.1 has been fixed.
When running "x joint -up" for an XCMD calculation, the following error
appears:
forrtl: severe (64): input conversion error, unit 4, file
If I understand you email correctly, the lines
"/THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared
libraries: libmpifort.so.12: cannot open shared object file: No such file
or directory
/THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared
libraries:
Dear wien2k users,
I forgot to mention in my earlier mail that I have already have .ssh folder
in the server where wien2k installed and already copied the key in the
id_rsa.pub file to authorized_keys file . But I don't know why the second
error (when I used .machines file without lapw0 line)
Dear wien2k users,
Although, I have successfully completed "init_lapw". I got errors when
runned the .machines one with including the lapw0 line and the other
without including it.
I have already kept the all the linking paths in .bashrc file which are
given below,
export
Thank you very much for looking into this issue and fixing it.
Yes, a student was extending optics to HELOs (to allow a proper
calculation at higher excitation energies) about 2 years ago and
apparently he broke the XMCD option.
The fix will be included in WIEN2k_18, which I hope to release
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