[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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