[Pw_forum] Electron localization function (ELF) using PAWs
Paolo Giannozzi
paolo.giannozzi at uniud.it
Mon Mar 24 16:19:55 CET 2014
On Mon, 2014-03-24 at 14:56 +0100, Kai.Trepte at chemie.tu-dresden.de
wrote:
> Error in routine pack_group_sticks (2):
> inconsistent size
> I don't know how to deal with this error message.
nor does anybody else, since this is an internal error that
should never show up. It might however help if you provide
- input and output of scf run
- the way you ran both the scf and the elf calculations
(number of processors etc)
> Shouldn't the 'elf + US' only apply if I use ULTRASOFT PPs?
> (I'm using PAWs)
I am afraid ELF with PAW's is also not implemented
Paolo
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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