[Pw_forum] vc -relax vs single point

[Paolo Giannozzi]

On Jun 21, 2007, at 9:45 , shruba at gmail.com wrote:

> Still in vc -relax calculation I am facing some issues, the optimum  
> lattice parameter shows a 0.1 Angstrom difference in the  
> calculation, though I
> used same K points and cut off and other parameter

the usage of the modified kinetic functional may make a sizable
difference

P.
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Paolo Giannozzi, Democritos and University of Udine, Italy