-- 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
-- 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:
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
3 matches
Mail list logo