[Pw_forum] norm-conserving PAW PPs

[Lorenzo Paulatto]

On Thursday, 13 April 2017 13:23:15 CEST Ryky Nelson wrote:
> PS. I assume these PPs are norm-conserving because there is information
> about norm_conserving_radius inside them. Let me know if I mistakenly
> understand this.

Dear Ryky,
those pseudopotentials are not norm-conserving.

The radius information you see is used to smooth the augmentation charge (i.e. 
charge is a smooth Bessel function inside that radius). It is just a reused 
variable in the ld1 code.

hth

-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
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