Dear Michael: I have succeded in creating its pseudopotential using your input file in a given format.By the way, the format-changed input file and its pseudopotential file have been placed in the attachment. Best
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
Attachment Converted: "c:\cygwin\home\paz\e-mail\attach\Cd.inp" Attachment Converted: "c:\cygwin\home\paz\e-mail\attach\Cd.psf"
Cd.inp
Description: Binary data
Cd.psf
Description: Binary data
