In the *.psf for the pseudopotential, I was having trouble figuring out what the meaning of two parameters were, here is a sample Oxygen file:
O ca nrl nc ATM3 no_date Troullier-Martins 2s 2.00 r= 1.14/2p 4.00 r= 1.14/3d .00 r= 1.14/4f .00 r= 1.14/ 4 0 1029 ##.309844022083E-03## ##.125000000000E-01## 6.00000000000 Radial grid follows The two parameters are inside the ##'s. In the pseudopotential.f source code file the parameters are called p%a and p%b, but I was hoping for something more specific, thank you, Jordan
