Input file for AtomPAW - Brief description
An example: Oxygen

Input file for AtomPAW
O  8                                      Generic file name - Atomic charge
GGA-PBE  loggrid 2001     Ex-correlation functional ; Use of a logarithmic grid with 2001 points
2 2 0 0 0                               Maximum n quantum numbers for s,p,d,f,g
2 1 4                                     n, l, occupation   - only for non fully occupied shells (here 2p)
0 0 0                                     End occupations of partially occupied shells
c                                           Core state                1s
v                                           Valence state          2s
v                                           Valence state          2p
1                                           lmax
1.41                                      PAW sphere radius (rc=1.41 bohr)
y                                           do we add a  l=0 partial wave ?
2.                                          Energy for this new l=0 partial wave (2 Ry)
n                                           End of additional l=0 basis functions
y                                           do we add a  l=1 partial wave ?
2.                                          Energy for this new l=1 partial wave  (2 Ry)
n                                           End of additional l=1 basis functions
VANDERBILT                   Use of D. Vanderbilt's scheme to generate projectors
2 0.                                       Use of Martins-Trouiller scheme to pseudize Vloc with l=2, E=0 Ry
1,41                                      Matching radius used to get first l=0 pseudo partial wave
1,41                                      Matching radius used to get 2nd l=0 pseudo partial wave
1,41                                      Matching radius used to get first l=1 pseudo partial wave
1,41                                      Matching radius used to get 2nd l=1 pseudo partial wave
0                                           Exit