[Wien] plz help required

arqum hashmi arqumhashmi at yahoo.com
Thu Mar 22 13:44:34 CET 2012

Dear wien2k users,

Thanks Sir stefaan for your guidance.

i calculated oxide material surface calculation with 50 atoms in unit 
cell. Now i want to calculate it with LDA+U and this requires two files 
case.indmc, case.inorb., i changed my case.inorb and case.indmc file according to my need. but when i started scf cycle program stops and it gives this message
LAPW0 END >   stop error

and when i checked the dayfile, it shows this message

start 	(Sun Nov 14 05:09:04 KST 2010) with lapw0 (200/99 to go) cycle 1 	(Sun Nov 14 05:09:04 KST 2010) 	(200/99 to go) >   lapw0 -p	(05:09:04) starting parallel lapw0 at Sun Nov 14 05:09:04 KST 2010
-------- .machine0 : processors
running lapw0 in single mode
331.288u 3.272s 5:34.95 99.8%	0+0k 0+194632io 0pf+0w
>   orb -up -p	(05:14:39) 0.012u 0.004s 0:00.01 100.0%	0+0k 0+32io 0pf+0w >   stop error

also when i checked error files, in uporb.error file, it shows this message

Error in Vorb.

i cannot understand what is this error and how can i solve this.

Please guide me, i will be very thankful to you.

Best Regards
Arqum Hashmi
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