[Pw_forum] problem in lderiv curves for Sr
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Tue Aug 30 23:46:12 CEST 2011
In data 30 agosto 2011 alle ore 17:57:18, karan deep
<karandeepster at gmail.com> ha scritto:
> anther problem is when u keep on decring the value of rlderiv then theses
> divergences comes in energy range of {0 -2}, and two curves ( all
> electron
> ld , pseudo ld ) do not overlap. then is this potential correct.
It does not look correct, but I you just did not add enough projectors
yet, and the radius of lrderis is too small (it should be slightly larger
then every cutoff radius)...
--
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
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