[Wien] Problem in running scf

kuls_gwl2@yahoo.com kuls_gwl2 at yahoo.com
Thu May 28 12:47:16 CEST 2009


Dear all,

I am a new user to WIEN2K.  I tried to run the spin-polarized calculations for SmTe using GGA.  After initialization when I run SCF it shows the following error 
>   lapw0 	(15:56:29) 6.861u 0.109s 0:06.97 99.8%	0+0k 0+0io 0pf+0w
>   lapw1  -up   	(15:56:36) 2.270u 0.283s 0:02.55 100.0%	0+0k 0+0io 0pf+0w

>   stop error

I checked the error files which displays the message :
 'INILPW' - can't open unit: 18                                                
 'INILPW' -        filename: SmTe.vsp                                          
 'INILPW' -          status: old          form: formatted                      
 'LAPW1' - INILPW aborted unsuccessfully.

But, I am not able to understand that where the problem is ?

Any suggessitions are welcome.

Thanks in advance
Subhra Kulshrestha
Project Fellow(UGC), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011  (M.P.) INDIA



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