I used the logical command : COOP.Write true
Doing so, I see in my output the WFSX file. Regards, Carlo 2010/11/4 Barraza-lopez, Salvador <[email protected]> > 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. > > ------------------------------ > *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]<http://mc/[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]<http://mc/[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 >> >> >> >> >
