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
I've seen this error before and I think it's because a variable in pg.sh
is not set correctly.
On Mon, 2004-03-08 at 11:20, Jianping Pan wrote:
Are you using Absoft fortran 90 64bit complier? (I saw similar mistake
when I started to use it).
Jianping
On Mon, 8 Mar 2004, Lisowski, Michael
Are you using Absoft fortran 90 64bit complier? (I saw similar mistake
when I started to use it).
Jianping
On Mon, 8 Mar 2004, Lisowski, Michael F wrote:
Hello agian,
I changed the value of the first line to 4 2 10.00 0.00 as you stated (silly
mistake), input file listed below.
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
84
42
PROTECTED] On Behalf Of Lisowski, Michael F
Sent: Monday, March 08, 2004 12:49 PM
To: SIESTA-L@LISTSERV.UAM.ES
Subject: Re: [SIESTA-L] Pseudopoential Generation of Cd
Hello agian,
I changed the value of the first line to 4 2 10.00 0.00 as you stated (silly
mistake), input file listed below
Dear Michael,
If you got your input file from Octopus webcite, you can download a psf file
of Cd pseudopotential press button ascii pseudo-potential output in Cd
section.
Sergey
Hello agian,
I changed the value of the first line to 4 2 10.00 0.00 as you stated (silly
mistake), input file listed below. However, I still get the same error messages.
cp: cannot stat `VPSOUT': No such file or directory
cp: cannot stat `VPSFMT': No such file or directory
== Output data in
://www.uam.es/siesta
[mailto:[EMAIL PROTECTED] On Behalf Of Lisowski, Michael F
Sent: Monday, March 08, 2004 11:47 AM
To: SIESTA-L@LISTSERV.UAM.ES
Subject: [SIESTA-L] Pseudopoential Generation of Cd
Hello,
I am trying to generate the pseudopotential for Cd. I have tried to create
this file several
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