[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






More information about the Wien mailing list