Hi,
It might be something as obvious as the format... It doesn't like the
c=ca part...
Try this:
---------------------------------------------------------------------
pg Cd
tm2 2.40
n=Cd ca
0.0 0.0 0.0 0.0 0.0 0.0
8 4
4 2 10.00 0.00
5 0 2.00 0.00
5 1 0.00 0.00
4 3 0.00 0.00
2.40 2.40 2.40 2.40
-------------------------------------------------------------------
Good Luck
M.
Lisowski, Michael F wrote:
Hello,
I am trying to generate the pseudopotential for Cd. I have tried to create
this file several time using examples for Oxegen and others. But no matter what
I do I get the following error message.
cp: cannot stat `VPSOUT': No such file or directory
cp: cannot stat `VPSFMT': No such file or directory
==> Output data in directory Cd
==> Pseudopotential in Cd
Based on the manual and the archives I know that the format of the Atom inp
file is critical. But can anyone tell me what I am doing wrong? Below is the
inp file I was trying to use. The 2.4 came from the Octopus website I found in
the archives
pg Cadmium
tm2 2.40
n=Cd c=ca
0.0 0.0 0.0 0.0 0.0 0.0
8 4
4 1 10.00 0.00
5 0 2.00 0.00
5 1 0.00 0.00
4 3 0.00 0.00
2.40 2.40 2.40 2.40
