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