[Wien] Problem with "Volumen Optimization "

[Ghosh SUDDHASATTWA]

Have you completed the optimize.job? 

Use 

W2web---->optimize--->Plot (ene vs volume) to see the plot 

Alternatively, use 

Grep –e:ENE case___0.0.scf for getting energy for each percentage change in
volume and use any plotter program 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Jose Alfredo
Camargo Martinez
Sent: Friday, May 06, 2011 4:01 AM
To: Wien2K
Subject: [Wien] Problem with "Volumen Optimization "

 

Hi

To calculate "Volume Optimization", I follow the procedure set out in page
28 of the user guide, but I get no graphics.

I use Wien2k_11.

What is correct procedure?

Thanks

 

José A. Camargo

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