Dear Wien2k users, I have started to simulate an electrolyte material (structure attached) using non-spin polarization. At the 7th cycle I got the following error; stop error
error: command /home/akt/Desktop/Shamik_Installation/Wien2k/lapw1c lapw1.def failed > lapw1 -c (02:25:39) 737.008u 71.143s 5:39.69 237.9% 0+0k 1064+165016io 8pf+0w > lapw0 (02:24:23) 176.006u 3.565s 1:16.19 235.6% 0+0k 4264+103984io 22pf+0w In error file it is written as "Error in LAPW1" Looking forward to your response in this regard. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
LGPSO_minf.struct
Description: Binary data
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