[Wien] LAPW1.ERROR

[Jorissen Kevin]

If you have not found answers to that question, you must have missed a lot ...
I think there's explanation in the troubleshooting section of the users guide, and also in the section about lapw1.
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: chahra mef [mailto:mef.chahra at caramail.com] 
	Verzonden: wo 6/9/2004 2:55 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] LAPW1.ERROR
	
	

	Dear users,
	 I'am trying to optimize the Al3Li (Do3) structure but calculations stops at zeroth iteration with the error file
	LAPW1.error:
	
	>SELECT- no energy limits found for L=o
	>SELECT-  E(Bottom)= -2.47       E(Top))= -200.00
	I have check the wien archive but I have't found a suitable answer
	 Can someone tell me how to solve this problem please.
	Chahra Souad.
	
	Plus simple, plus fiable, plus rapide : découvrez le nouveau Caramail - http://www.caramail.lycos.fr
	
	

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