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Plane waves with Hartwigsen, Goedecker, Hutter psp??
Posted: Fri Feb 25, 2011 8:48 am
by new_986
Hi...
could i use plane waves as basis sets with Hartwigsen, Goedecker, Hutter pseudopotential ????
kind regards
Nawzad A.
Re: Plane waves with Hartwigsen, Goedecker, Hutter psp??
Posted: Sat Feb 26, 2011 9:54 am
by mverstra
PW are always the basis set in abinit. For PAW they are augmented by projectors in muffin tins.
You may _also_ use the gth/hgh potentials with the wavelet basis, though. The other psp do not work yet with wavelets.
Matthieu
Re: Plane waves with Hartwigsen, Goedecker, Hutter psp??
Posted: Sun Feb 27, 2011 9:47 am
by new_986
mverstra wrote:PW are always the basis set in abinit. For PAW they are augmented by projectors in muffin tins.
You may _also_ use the gth/hgh potentials with the wavelet basis, though. The other psp do not work yet with wavelets.
Matthieu
Thank you very much
Nawzad. A.