[Wien] Total potential

[Javad Hashemifar]

> > Thanks for the answer. I have used the new lapw0 with switch R2V in
> case.in0 and as you mentioned 3 files was genereated (case.r2v case.vcoul
> case.vtotal)
> > case.vcoul seems to be the same as before but unfortunately case.vtotal is
> > empty!!. I have tested it for two different systems and in both cases it is
> > empty. I should note that I am using the new version Wien2k_03. Please tell
> me how I can obtain the total potential.
> 
> No, you have NOT used the latest version of lapw0 (or you have made some
> other error?).
> Version WIEN2k_03 is not enough, you need the latest version.
> Download and install it from www.wien2k.at

Thanks Prof. Blaha but unfortunately it seems that it is not working. I have
done the following steps.
1. removing old version of Wien2k_03
2. installing latest version (by using executable files, no compiling)
3. running one iteration with new version in converged system with old vesion
4. changing switch NR2V to R2V in case.in0 
4. running new version of lapw0

but case.vtotal is empty !!!
can I use of the sum of case.r2v and case.vcoul as total potential.

Thanks in advance.
Best regards,
Javad Hashemifar




	
		
__________________________________
Do you Yahoo!?
Yahoo! Photos: High-quality 4x6 digital prints for 25¢
http://photos.yahoo.com/ph/print_splash