Plane waves with Hartwigsen, Goedecker, Hutter psp??

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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new_986
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Plane waves with Hartwigsen, Goedecker, Hutter psp??

Post by new_986 » Fri Feb 25, 2011 8:48 am

Hi...
could i use plane waves as basis sets with Hartwigsen, Goedecker, Hutter pseudopotential ????
kind regards

Nawzad A.
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mverstra
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Re: Plane waves with Hartwigsen, Goedecker, Hutter psp??

Post by mverstra » Sat Feb 26, 2011 9:54 am

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
Matthieu Verstraete
University of Liege, Belgium
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new_986
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Re: Plane waves with Hartwigsen, Goedecker, Hutter psp??

Post by new_986 » Sun Feb 27, 2011 9:47 am

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.
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