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
LCrT_GGA_opt_CrAFM_vol____1.00.struct
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