Hi everyone,
I have some problems when generating the pseudopotential for the Ca
neutral atom. Every file is correctly generated for different values of
the radius of the "s" orbital, but when it is larger than 2.05 the
following message comes:
*
cp: cannot stat `VPSOUT': No such file or directory
cp: cannot stat `VPSFMT': No such file or directory*
Calculation for Ca9 completed. Output data in directory Ca9...
.... and pseudopotential in Ca9.vps and Ca9.psf (formatted)
and no .psf nor .vps is created.
Have anyone faced to a similar situation?.
Thanks,
Juan
PS: The .inp that I use is:
pg Calcium
tm2 2.000
n=Ca c=pb
0.0 0.0 0.0 0.0 0.0 0.0
5 4
4 0 2.00 0.00
4 1 0.00 0.00
3 2 0.00 0.00
4 3 0.00 0.00
2.05 3.00 4.00 4.00 1.00 0.80
