Hi Carlo, so what did you do? Was it just an error in your input file? I am facing a similar problem; I beleive my input file is correct. Can you share the info on how you solved the problem? Thanks, -Salvador.
----- Original Message ----- From: "Carlo Motta" <[email protected]> To: [email protected] Sent: Thursday, November 4, 2010 11:44:03 AM Subject: Re: [SIESTA-L] Output of Wavefunction Yes, now it is working, Thank you, C.Motta 2010/11/4 Slimane Haffad < [email protected] > is the program generate an WFSX file with the command : COOP.Write ??? --- En date de : Jeu 4.11.10, Carlo Motta < [email protected] > a écrit : De: Carlo Motta < [email protected] > Objet: Re: [SIESTA-L] Output of Wavefunction À: [email protected] Date: Jeudi 4 novembre 2010, 15h57 I am using siesta-3.0-rc2. Regards, Carlo 2010/11/4 Nicolas Leconte < [email protected] > Which version of Siesta are you using? .WFSX has been introduced for Siesta3.0... Sincerely, Nicolas On Thu, Nov 4, 2010 at 3:17 PM, Carlo Motta < [email protected] > wrote: Dear SIESTA users, I am trying to plot the HOMO and LUMO of an isolated molecule (BDT). I am following the instructions of the UserGuide, I get in the output the files .PLD and .DIM, but siesta does not generate the WFSX file. I have attached my input file. Please, can you give me a suggestion? Thank you, C. Motta
