[Wien] Wien2k User Group] 2DOptimize package in w2web

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Tue Jan 12 08:21:10 CET 2010


Dear Prof.Blaha, 

Will it be implemented in the next release of Wien2k? 

Suddhasattwa 

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Peter Blaha
Sent: Tuesday, January 12, 2010 12:09 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Wien2k User Group] 2DOptimize package in w2web

It is not implemented in w2web yet.

You will have to open a terminal window ("xterm"), change into your
working directory and type in the commands.

Ghosh SUDDHASATTWA schrieb:
> Dear Wien2k users,
> 
> The 8^th option in the optimize (V,c/a) executable is not there.
> 
> Can anybody inform as to how we can access the simultaneous volume and 
> c/a optimization module through w2web.
> 
> When we scroll down the options, there seems to be only 7 options.
> 
> Suddhasattwa
> 
>  
> 
>  
> 
> 
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