Comment: 
Comment: PAW basis set generation file for Copper
Comment: 

Comment: LDA results - cutoff = 50
Comment: ref0 refM Rcmp   3s  3p  3d  4s  4p    config   CuH Dist
Comment: -1.5  1.8  2.2  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43887
Comment: -1.5  1.8  2.0  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43869
Comment: -1.5  1.8  1.8  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43861
Comment: -1.5  1.8  1.6  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43846
Comment: -1.5  1.8  1.4  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43844
Comment: -1.5  1.8  1.2  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43836
Comment: -1.5  1.8  1.0  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43825
Comment: -1.0  1.6  2.0  1.8 1.8 1.8 1.8 1.8  4s1 3d10    1.43710
Comment: -1.0  2.0  2.0  1.6 1.6 1.6 1.8 1.8  4s1 3d10    1.44866
Comment: -1.0  2.0  2.0  1.6 1.6 1.8 1.8 1.8  4s1 3d10    1.44442
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s1 3d10    1.44479
Comment: -1.0  2.0  2.0  1.8 1.8 1.8 2.0 2.0  4s2 3d9     1.44547
Comment: -1.0  2.0  2.0  1.6 1.6 1.8 2.0 2.0  4s2 3d9     1.44442

Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     1.44847


Comment: PBE results - periodic SC = 20
Comment: ref0 refM Rcmp   3s  3p  3d  4s  4p   config cutoff  CuH Dist    CuH w0              E
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     10   1.55769  1882.650  -238.68859641
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     20   1.46829  2012.669  -243.50221036
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     30   1.46745  1989.370  -243.56068568
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     40   1.46752  1996.716  -243.59820708
Comment: -1.0  2.0  2.0  1.8 1.8 2.0 2.0 2.0  4s2 3d9     50   1.46670  1981.242  -243.60150649



[psp_type] 4
[cutoff] 50.0

<atom_charge> 29.0
<orbitals>
7 1 1
1  0   2.0
2  0   2.0
2  1   6.0
3  0   2.0
3  1   6.0
3  2   9.0
4  0   2.0
4  1   0.0
4  2   0.0  0.1
<paw_basis>
5
3  0   1.8
3  1   1.8
3  2   2.0
4  0   2.0
4  1   2.0
4  2   2.0
<ref_potential_matching_radius> 2.00
<ref_potential_at_zero>      -1.0
<compensation_charge_radius> 2.0
<nodal_constraint> on
<projector_method> blochl

<scattering_test>
3
1  -1.0  0.5  1.8 300
0  -1.0  0.5  1.8 300
2  -1.0  0.5  1.8 100

