[Wien] Fwd: Question regarding volume optimization

2013-06-19 Thread shamik chakrabarti
-- Forwarded message -- From: shamik chakrabarti shamik...@gmail.com Date: Wed, Jun 19, 2013 at 6:51 PM Subject: Re: [Wien] Question regarding volume optimization To: Shamik Chakrabarti shamikiit...@gmail.com Dear Stefan Cottenier Sir, I have another question regarding

[Wien] Fwd: Question regarding volume optimization

2013-06-19 Thread shamik chakrabarti
-- Forwarded message -- From: shamik chakrabarti shamik...@gmail.com Date: Wed, Jun 19, 2013 at 6:52 PM Subject: Fwd: [Wien] Question regarding volume optimization To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at -- Forwarded message -- From:

Re: [Wien] Fwd: Question regarding volume optimization

2013-06-19 Thread Stefaan Cottenier
I have another question regarding optimization of a,b,c (3D case) using option 6. We can generate several structures by varying say 1% of the initial lattice parameters. Then my question is (1) how those 3 lattice parameters are varied to generate structures? say, two successive files