[Wien] Volume Optimization Problem

[Stefaan Cottenier]

Your picture is overwhelmed by the very high energies at very small  
volumes. Plot your data again, but only in the volume range 300-400. I  
bet you'll see something different...

Stefaan


Citeren "SANJAY KUMAR SINGH" <sanjayfizix at gmail.com>:

> Respected Prof. P Blaha Sir & all wien2k Users,
> Sir,I am optimizing the structure of a compound by changing RMTs &
> E-parameter.But I am unable to find the correct optimized structure by any
> way. Sir may I request you to kindly help me to get the solution of this
> problem.The volume optimization graph is attached with this mail. I will be
> grateful to you for sparing your valuable time for me.
> ....looking forward to your answer very eagerly.
> With kind Regards and thanks
> --
> SANJAY KUMAR SINGH
> RESEARCH SCHOLAR
> CONDENSED MATTER THEORY GROUP
> SCHOOL OF STUDIES IN PHYSICS
> JIWAJI UNIVERSITY
> GWALIOR -474011 (M.P) INDIA
>



-- 
Stefaan Cottenier
Center for Molecular Modeling (CMM)
Ghent University
Technologiepark 903 (2nd floor)
BE-9052 ZWIJNAARDE
Belgium

http://molmod.Ugent.be
email: Stefaan.Cottenier /at/ UGent.be