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# $Id$
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Comment: Samarium pseudopotential parameters
Comment: Relativistic TM, quadratic semicore,P rojectors: 4f 5s 5p 5d 6s 6p
Comment: Fitted 04-06-22
Comment: by Eric Bylaska
Comment:
Comment: Atomic Energies for Lanthanides
Comment:
Comment: Ecut = 80 Ry
Comment:               Mult 1            Mult 3            Mult 5            Mult 7            Mult 9           Mult 11
Comment: Ce -0.2155975912E+03 -0.2156388510E+03 -0.2153399708E+03 -0.2145166299E+03 -0.2142513504E+03 -0.2135953309E+03
Comment: Nd -0.7141857740E+02 -0.7152474551E+02 -0.7157630076E+02 -0.7153063430E+02 -0.7089481562E+02 -0.7026964790E+02
Comment: Sm -0.9141274579E+02 -0.9154593809E+02 -0.9158565232E+02 -0.9166627185E+02 -0.9161215107E+02 -0.9096503857E+02
Comment: Gd -0.1193921203E+03 -0.1195387108E+03 -0.1195871955E+03 -0.1196802788E+03 -0.1196965670E+03 -0.1196601871E+03
Comment: Dy -0.1527063612E+03 -0.1528594622E+03 -0.1529208714E+03 -0.1528745134E+03 -0.1528090095E+03 -0.1526167911E+03
Comment: Er -0.1927724351E+03 -0.1928780974E+03 -0.1928413613E+03 -0.1927564204E+03 -0.1925299540E+03 -0.1920672508E+03
Comment: Yb -0.2447113573E+03 -0.2446194633E+03 -0.2444926315E+03 -0.2442279806E+03 -0.2438000965E+03 -0.2431644830E+03
Comment:

<comment> Parameterized Sm TM psp (4f5s5p5d6s6p projectors, 4/6/2022 by EJB) <end>

[lmax] 3
[locp] 0
[rlocal] 1.0
[cutoff] 75.0

<atom>
 Sm
  62.00 150.36 9 3
   1   0    2.00
   2   0    2.00
   2   1    6.00
   3   0    2.00
   3   1    6.00
   3   2   10.00
   4   0    2.00
   4   1    6.00
   4   2   10.00
   4   3    6.00
   5   0    2.00
   5   1    6.00
<end>
<solver> pauli                         <end>
<pseudopotential> troullier-martins    <end>
<rcut>
0       1.648000
1       1.868000
2       3.913000
3       1.403000
<end>
<kb_expansion>
0 2
1 2
3 2
<end>
<semicore> 0.920 <end>
<semicore_type> quadratic <end>

<screening_cut> 0.10 <end>


