Dear all
I want to get the O2- Pseudopotential, valence orbital is 2s2 2p6.
There still has error in the output while it worked when I tried the 2s2 2p5
3d1.
Does anybody know the reason?
the input is
pg Oxygen
tm2 2.0
n=O c=pb
0.0 0.0 0.0 0.0 0.0 0.0
1 4
2 0 2.00 0.00
2 1 6.00 0.00
3 2 0.00 0.00
4 3 0.00 0.00
1.15 1.15 1.15 1.15error : error in pseud2 - nonconvergence in finding starting delta for angular momentum 0 stop parameter =821 Fen
