[Pw_forum] ld1.x and test

[Dmitry Korotin]

Dear ESPRESSO users,
I'm trying to reproduce Np pseudopotential from the article PRB 66, 235112

after pseudo-generation run I have following output:
     n l  j  nl             e AE (Ryd)       e PS (Ryd)   De AE-PS (Ryd)
     2 1 0.5 6P   1( 2.00)       -3.27104       -3.27129        0.00025
     2 1 1.5 6P   1( 4.00)       -2.55754       -2.55786        0.00032
     3 2 1.5 6D   1( 1.00)       -1.09034       -1.09045        0.00011
     3 2 2.5 6D   1( 0.00)       -1.03768       -1.03782        0.00014
     4 3 2.5 5F   1( 4.00)       -1.30480       -1.30299       -0.00181
     4 3 3.5 5F   1( 0.00)       -1.23331       -1.23252       -0.00079
     1 0 0.5 6S   1( 2.00)       -4.62634       -4.62636        0.00003
(De AE-PS (Ryd) seems ok)

but after pseudo-test run with the same electrons configuration I have
following:
     n l  j  nl             e AE (Ryd)       e PS (Ryd)   De AE-PS (Ryd)
     4 3 2.5 5F   1( 4.00)       -1.30480       -9.85980        8.55500
     4 3 3.5 5F   1( 0.00)       -1.23331       -9.75683        8.52352
     3 2 1.5 6D   1( 1.00)       -1.09034       -8.00574        6.91540
     3 2 2.5 6D   1( 0.00)       -1.03768       -7.85645        6.81877
     1 0 0.5 7S   1( 0.00)       -1.12548      -12.93386       11.80838

I think that results should be exactly the same and I confused.
Do you have any suggestions?


Thank you in advance,
Dmitry Korotin.