[Wien] (no subject)

[genghua]

genghua,您好！

	
>Dear Sir,
>
>I am trying to calculate optical properties of anatase TiO2 ,everything is ok,until I run SCF,"X LAPW1"ERROR, ERROR information as follow:
'SELECT' - no energy limits found for L= 0                                    
'SELECT' - E-bottom   -6.06500   E-top -200.00000                             


>I don't know what the reason is. Could you please give some helpful suggestions? Thank you very much in advance!
>
>
>
>　　　　　　　　genghua
>　　　　　　　　hgeng at iccas.ac.cn
>　　　　　　　　　　2004-02-05
>
>
>
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　　　　　　　　致
礼！
 
				 
　　　　　　　　genghua
　　　　　　　　hgeng at iccas.ac.cn
　　　　　　　　　　2004-02-06