[Wannier] issues with the interface between VASP and WANNIER90
yunpengwang85 at gmail.com
Wed Sep 21 15:49:55 CEST 2016
I think your guess is correct, since the all-electron wave functions are
used when calculating the inner product between Kohn-Sham orbitals with
projectors. The all-electron wave functions are converted from pseudo
wave functions using the PAW scheme. I have no idea since which version
of vasp does the all-electron wave function is accessible. But I do have
a luck with version 5.3.3.
On 09/21/2016 03:48 AM, Tao, S. wrote:
> Dear all
> Recently we compiled VASP with WANNIER90 for GW calculations.
> We have used VASP5.2.2 with WANNIER90 v1.2. The compilation was
> succesful but when we run jobs, the following error occured
> "this version requires full pseudpotential generation information."
> I suspect it is because we have used a new version of potentials in a
> relatively old version of VASP. But jobs without WANNIER90 are running
> fine. Has anyone encountered the same problem? How did you solve this?
> Wannier mailing list
> Wannier at quantum-espresso.org
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