[Pw_forum] GIPAW pseudopotentials

[Lorenzo Paulatto]

On Wed, October 7, 2009 17:10, Pallister, Peter wrote:
>  Hi all,
>
>  I am attempting to generate a gipaw pseudopotentials, in this case for
>  Mg, but I am having tremendous difficulty. The wavefunctions produced
>  with the input below (or minute variations thereof) continuously show
>  discontinuities, specifically at a radius of 15bohrs.

Dear Peter,
the wavefunctions are generated on a logarithmic radial grid, around 15
bohr the points are very coarse, btw how are you examining the
wavfunctions? (there is not file_wfcncgen='..' in your input).

best regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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