[Wien] [Wien2k Users] c/a and b/a optimization for orthorhombic case

[Ghosh SUDDHASATTWA]

Dear Wien2k Users, 

I used Option 3 by varying c/a with constant volume and constant b/a 

Then with the same original struct file, I used option 4 by varying b/a. 

I both the cases, I get a pretty good energy vs c/a (or b/a) plot. 

I would like to know as to how we can make it relate with Option 6. 

 

How can we get a 3-D plot of energy c/a and b/a? 

 

Suddhasattwa 

 

 

 

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