[Wien] SCF failed!!

my_peak at ywzc.net my_peak at ywzc.net
Sat Mar 20 14:50:11 CET 2004


Dear everyone:
       When I run the SCF,I have a trouble with the fowllowing error, this error happens in the first SCF cycles running .
         '  executing:runsp_ lapw -cc 0.00
           01
            stop   lapw0 end statement executed
            stop   lapw2-Error  statement  executed
           Return key to continue------------'
 In the same time,The  uplapw2.error says:
            'lapw2'--Can't open unit:9
            'lapw2'--filename:workdir/**.vectordn
            'lapw2'--status:unknown        form:unformatted
I don't konw  if there's an error in your structure file this time.It wil be very grateful If some can help me or give me  advice about it !
Best regards!
Your sincerely:DW LIU






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