[Pw_forum] Failed in tests and examples
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Fri Aug 28 08:29:27 CEST 2015
> nl pn l occ Rcut Rcut US E pseu
>
> 4S 1 0 1.00 2.00000000000 2.50000000000 0.00000000000
> 4S 1 0 0.00 2.00000000000 2.50000000000 0.00000000000
> 4P 2 1 0.00 2.40000000000 2.60000000000 0.00000000000
> 4P 2 1 0.00 2.40000000000 2.60000000000 0.00000000000
> 3D 3 2 9.00 1.60000000000 2.50000000000 0.00000000000
> 3D 3 2 0.00 1.60000000000 2.50000000000 0.00000000000
pn means pseudo-n-quantum-number, i.e. the first line is a "n=1 l=0"-like
state, i.e. spherical with zero nodes.
hth
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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