[Pw_forum] vc-relax

[xirainbow]

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
> calculations.
>
> 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
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>



-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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