I tried your PP input file and it worked for me as long as I only keep one "0.0" in the fourth line as indicated in the PP user guide, instead of 6 times "0.0" as you used.
Give it a try. Leo. --------------------------------------------------------------------------------------------------------- Leonardo Fonseca, Ph.D. Materials and Device Modeling Technology Solutions Group Motorola Inc. Rua Correias 421/302 Belo Horizonte, MG 30315-340, Brazil Phone: 55-31-3221-0569 Fax: (480) 413-4511 E-mail: [EMAIL PROTECTED] --------------------------------------------------------------------------------------------------------- The information contained in this email is: (x) General Business Information ( ) Motorola Internal Use Only ( ) Motorola Confidential Proprietary -----Original Message----- From: Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta [mailto:[EMAIL 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. 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 directory Cd ==> Pseudopotential in Cd..... Any other suggestions on what I am doing wrong? pg Cadmium tm2 2.40 n=Cd c=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
