[Wien] SCF failed!
my_peak at ywzc.net
my_peak at ywzc.net
Fri Mar 12 10:50:42 CET 2004
Dear everyone:
I'm computing a inorganic system(14 inequivalent atoms per unit cell and Z=4 ),the step of Initialize Calc. succeeded, but SCF failed ,the following is the error:
' executing runsp_lapw -cc 0.00
01
STOP LAPW0 END STATEMENT EXECUTED
start:end of file apparent state:unit 10 named ./FeNb.vectorup
last format:list to lately reading sequential unformatted external IO
Return key to continue------'
It wil be very grateful If you can help me or give me any advice about it!
Best regards!
DW LIU
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