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
S_tet_67225.struct
Description: Binary data
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