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
