[Wien] SCF failed!

[Jorissen Kevin]

Does this happen in the first iteration?  And are you sure you initialized for a sp-case (ie, ran dstart -up and dstart -dn)?
Apparently lapw1 crashes - does it produce any output?  Does the error-file say more than 'error in lapw1'?
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: my_peak at ywzc.net [mailto:my_peak at ywzc.net] 
	Verzonden: vr 3/12/2004 10:50 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] SCF failed!
	
	

	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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