[Wien] 4-D optimization

Viktor Zano zanov at bgu.ac.il
Fri Sep 16 10:08:58 CEST 2011


Hello
- I am running wien version 10.1 on a Intel machine (quad-core) with operating system ubunto 10.04 LTS (the Lucid lynx).
- The purpose of my calculations is to get optimize the cell parameters of monoclinic (only A,B, C and not gama).
- In fact I can't run even 4-D optimization (puting 15 or 81 number of structure getting me "error: command ....optimize upoptimize.def failed). I tried every option to put the percentange and the number:
say +/- 3% in every parameter (A,B,C)
What shell I do?



 _____________________________
Victor Y. Zenou
PhD student
Department of Materials Engineering 
BGU‎
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110916/d1630fb6/attachment.htm>


More information about the Wien mailing list