[Pw_forum] epsilon.x

[Duy Le]

Hi
 >Is there any way that we can run epsilon.x if we dont have norm conserving
pseudo-potential.
I did not do any epsilon.x calculation before, and I don't understand what's
wrong with non-norm conserving potential? To calculate dielectric constants,
one needs energy and wavefunction of all states. PWscf provides those
(Kohn-Sham eigenvalues and eigen wavefunctions), and epsilon.x will do it
jobs as a post-processing. It would be nice if you or someone can explain
the problem to me. Thank you.

>I want to run epsilon.x for YVO4 and i dont know how to use ld1.x to make a
pseudo potential. Please help or advice.
http://www.quantum-espresso.org/wiki/index.php/QESB09, (Saturday 25) has
tutorial and lectrure for generating pseudo potential (video available too).
Give it a try if you really need to generate pseudo potental.

Best,

On Sat, Sep 26, 2009 at 3:14 AM, dev sharma <decboy9 at gmail.com> wrote:

> Hi 2 all,
>
>  Is there any way that we can run epsilon.x if we dont have norm conserving
> pseudo-potential. I want to run epsilon.x for YVO4 and i dont know how to
> use ld1.x to make a pseudo potential. Please help or advice.
>
> Thanks in advance,
> Dev Sharma,
> University of Delhi,
>
>
>
>
>
>
>
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>


-- 
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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