Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Zhenxiang Dai
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Nichols A. Romero
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Jianping Pan
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.

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Miguel Pruneda
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Fonseca Leonardo-g14836
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Sergey Lisenkov
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Lisowski, Michael F
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

Re: [SIESTA-L] Pseudopoential Generation of Cd

2004-03-08 Thread Fonseca Leonardo-g14836
://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