[Wien] K-gen failed with segmentation fault
shamik chakrabarti
shamik15041981 at gmail.com
Mon Mar 23 06:55:43 CET 2020
Dear Wien2k users,
I am trying to simulate a FCC cell of LiSnS2. During
initialization I got the following error;
Commandline: x kgen
Program input is: " 4200 1 "
Segmentation fault
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /usr/local/Wien2k/kgen kgen.def failed
Surprisingly, I am not getting this error during 8 Angstorm or 5.5
Angstorm lattice parameter as being put in the initial structure file. I
am sending the current structure file which shows the error, with this
mail. Is it due to some kind of bug???
Please use this struct file in wien2k_19.1 to see that whether the error is
being reproduced or not.
Looking forward your reply in this regard.
Thanks in advance.
with regards,
Looking
I have not found any suitable solution in the mailing list. I am sending
the struc
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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