[SIESTA-L] Re : [SIESTA-L] pseudopotential generation problem (Bi)

! Karim - Message d'origine De : Yurko Natanzon <[EMAIL PROTECTED]> À : SIESTA-L@listserv.uam.es Envoyé le : Mardi, 5 Juin 2007, 12h09mn 27s Objet : [SIESTA-L] pseudopotential generation problem (Bi) Dear SIESTA users, I have a trouble with generation of pseudopotential for Bism

[SIESTA-L] pseudopotential generation problem (Bi)

Dear SIESTA users, I have a trouble with generation of pseudopotential for Bismuth with 6s and 6p electrons in the valence. the potential is not generated neighter with atom, nor with web-interface to it (http://www.tddft.org/programs/octopus/pseudo.php), so the problem doesn't lie in formatting.

Re: [SIESTA-L] Pseudopotential generation

Hi Chin-Cheng, Try having the same spacing as in the files that actually work. The format is *very* rigid. The way I do this is the following: I take a pseudo that works and I change the variables to suit my needs, but leaving all previous spacing unaltered. Hope this is clear, Best! Salva.

[SIESTA-L] Pseudopotential generation

Dear SIESTA users, I created an input file of pseudopotential generation for Pb and used the command line "sh ../pg.sh Pb.tm2.inp" in the local folder named Pb. I got the following response, cp: cannot stat `VPSOUT': No such file or directory cp: cannot stat `VPSFMT': No such file or director

Re: [SIESTA-L] pseudopotential generation problem

Engin DELÝGÖZ wrote: Dears all I am new user the siesta 1.3. I meet a problem when I generate pseudopotential. The error message is a follows ==>Output data in directory C.tm2 ==>Pseudopotential in C.tm2.vps and C.tm2.psf cp:cannot stat 'charge.gplot ':No such file or dirrectory cp:cannot stat

[SIESTA-L] pseudopotential generation problem

Dears all I am new user the siesta 1.3. I meet a problem when I generate pseudopotential. The error message is a follows ==>Output data in directory C.tm2 ==>Pseudopotential in C.tm2.vps and C.tm2.psf cp:cannot stat 'charge.gplot ':No such file or dirrectory cp:cannot stat 'charge.gbs ':No such

Re: [SIESTA-L] pseudopotential generation problem

Check the spacing of the input file, make sure the numbers are spaced just like those in one of the examples, otherwise it won't work, since fortran has a fixed format input, Jordan On Tue, 2004-02-10 at 03:43, PengGang Yin wrote: Dears all, I meet a problem when I generate pseudopotential

Re: [SIESTA-L] pseudopotential generation problem

Dear PengGang: It is possible that there is some wrong with the format of your pseudopotential input file. There is a fixed format about these input files.You can refer to ATOM User Manual or http://www.tddft.org/programs/octopus/pseudo.php . > Dears all, > I meet a problem when I gene

[SIESTA-L] pseudopotential generation problem

Dears all, I meet a problem when I generate pseudopotential. The erro message is as follows. cp: cannot stat `VPSOUT': No such file or directory cp: cannot stat `VPSFMT': No such file or directory ==> Output data in directory C.tm2 ==> Pseudopotential in C.tm2.vps and C.tm2.psf How do I