[Wien] error in monoclinic optimization
wasim raja Mondal
wasimr.mondal at gmail.com
Tue Apr 7 10:05:13 CEST 2015
Dear wien2k user,
I am doing monoclinic optimization option 7. I
have chosen uption 7, structure 15 and change as 1%. It has run upto 10
structure then it stopped with the following error message:
final_cal.vnsdn -> ./final_cal_mon__10.0_default.vnsdn
final_cal.r2v -> ./final_cal_mon__10.0_default.r2v
final_cal.r2vdn -> ./final_cal_mon__10.0_default.r2vdn
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf,
struct and input files saved under ./final_cal_mon__10.0_default
running dstart in single mode
DSTART ENDS
5.8u 0.0s 0:05.85 99.6% 0+0k 0+31328io 0pf+0w
0.5u 0.0s 0:00.58 100.0% 0+0k 0+16824io 0pf+0w
clmextrapol_lapw has generated a new final_cal.clmsum
hup: Command not found.
LAPW0 END
SECLR4 - Error
> stop error
ERROR status in final_cal_mon__11.0
Regards
wasim
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150407/d9128183/attachment.html>
More information about the Wien
mailing list