[Wien] Volume optimization of Fixed spin moment structure

[J.H. Mokkath, FB18]

Hello Wien2k users,

I am doing Fixed Spin Moment calculation of FeRh molecule. I did run volume
optimization, but got an error command



'INILPW' - can't open unit: 18                                                
 'INILPW' -        filename: FeRhdim.vsp                                       
 'INILPW' -          status: old          form: formatted                      
 'LAPW1' - INILPW aborted unsuccessfully.

DSTART ENDS
1.692u 0.192s 0:01.88 100.0%	0+0k 0+0io 0pf+0w
DSTART ENDS
1.704u 0.144s 0:01.85 99.4%	0+0k 0+0io 0pf+0w
DSTART ENDS
1.672u 0.164s 0:01.83 100.0%	0+0k 0+0io 0pf+0w
DSTART ENDS
1.656u 0.128s 0:01.78 99.4%	0+0k 0+0io 0pf+0w
0.192u 0.092s 0:00.28 100.0%	0+0k 0+0io 0pf+0w
clmextrapol_lapw has generated a new FeRhdim.clmsum
DSTART ENDS
1.632u 0.156s 0:01.78 100.0%	0+0k 0+0io 0pf+0w
0.232u 0.096s 0:00.32 100.0%	0+0k 0+0io 0pf+0w
clmextrapol_lapw has generated a new FeRhdim.clmup
DSTART ENDS
1.632u 0.160s 0:01.79 100.0%	0+0k 0+0io 0pf+0w
0.260u 0.160s 0:00.41 102.4%	0+0k 0+0io 0pf+0w
clmextrapol_lapw has generated a new FeRhdim.clmdn
 LAPW0 END
LAPW1 - Error

>   stop error
ERROR status in FeRhdim_vol__-4.0







Could somebody explain me the important steps which I should follow while doing
volume optimization of fixed spin moment calculations.....



Thanks in advance,
MOkkath....

--------------------------------------------------------
This mail sent through http://www.uni-kassel.de/www-mail