[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

>      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 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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