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, > > > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090926/43826df9/attachment.htm
