nkxirainbow at gmail.com
Thu Jun 6 16:47:58 CEST 2013
Dear Muhammad Zafar:
grep "End final coordinates" *.out
On Thu, Jun 6, 2013 at 5:44 PM, zafar rasheed <zafartariq2003 at yahoo.com>wrote:
> Dear All
> I perform 'vc-relax ' calculation of 8 atoms zinc blende structure at
> fixed lattice parameter.
> after calculation I get new positions and cell volume.
> My question is that which lattice parameter should I use for the next
> Actual given in input of vc-relax or derive from the relaxed structure
> (from last volume)
> Muhammad Zafar
> PhD Scholar
> Department of Physics
> The Islamia University of Bahawalpur,Pakistan
> Pw_forum mailing list
> Pw_forum at pwscf.org
School of physics, Fudan University, Shanghai, China
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