[Pw_forum] epsilon.x

[dev sharma]

Sir,
Problem is that it gives the error with mssg that USPPs are not implement.
What to do in that case. Earlier to one of the answer Lorenzo Paulatto sir
write

The error means that the calculation you are trying to do is not implemented
for USPP (ultra-soft pseudo-potential). Either use norm-conserving only, or
develop it for ultrasoft.

I didnt get how to develop it for ultrasoft  PPs.

Thanks

Dev Sharma,

Univeristy of Delhi



On Sun, Sep 27, 2009 at 1:35 AM, Duy Le <ttduyle at gmail.com> wrote:

> 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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