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EvsLC
Date: 2014/05/16 13:07
Name: David G.

Hi,
I just started giving OpenMX a try, so far is pretty good.
I just have a quick question that I can't seem to find in the Manual.
Does the option MD.Type EvsLc optimizes the atomic position as it expands the unit cell?

Thanks very much for your help
David Guzman
NCN Purdue University
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Re: EvsLC ( No.1 )
Date: 2014/05/20 16:32
Name: T. Ozaki

Hi,

The fractional coordinates are kept during expansion of the unit cell
using 'MD.Type EVsLC'.

Regards,

TO
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