[Wien] uplapw1.def failed

[shamik chakrabarti]

Dear Wien2k users,

                       I have started to run volume optimization
(a:b:c-constant) of a spinel compound (structure attached). However, at the
second cycle an error appeared as below;





*ERROR status in LCrT_GGA_opt_CrAFM_vol____1.00>   stop errorSTOP  LAPW0
ENDhup: Command not found*

 as can be seen from STDOUT

dayfile is showing the error as,

*cycle 2 (Thu Oct 14 02:21:55 IST 2021) (998/998 to go)*





*>   lapw0   (02:21:56) 185.3u 0.7s 1:21.24 229.1% 0+0k 3888+212272io
11pf+0w>   lapw1  -up     -c (02:23:17) Killed6805.4u 1119.5s 47:18.62
279.1% 0+0k 3304+1071168io 13pf+0werror: command   /usr/local/Wien2k/lapw1c
uplapw1.def   failed*
*>   stop error--*

Thanks in advance.

with regards,


Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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