Re: [SIESTA-L] As pseudo GGA

Thank you very much, G On Thu, 25 Sep 2008, Oleksandr Voznyy wrote: pe Gallium tm2 2.1 Ga pbr 0.0 0.0 0.0 0.0 0.0 0.0 64 40 2.00 0.00 41 1.00 0.00 42 0.00 0.00 43

[SIESTA-L] eig2dos error

hi all siesta users,I have comipled the eig2dos.f with f95 ,the order is : f95 eig2dos.f -o eig2dos and I get the 'eig2dos',but when I use the 'eig2dos' to convert the file.EIG,I cannot get the result except for : At line 54 of file eig2dos.f Fortran runtime error: Bad integer for

Re: [SIESTA-L] eig2dos error

Dear Javad: I don't add these numbers to my .EIG file.and I try it again ,so I succeed in getting the postscript file .and I can use it to plot my DOS now,thank you very much ! sincerely zhiyong

Re: [SIESTA-L] eig2dos error

Dear Javad: I have a problem about the computing of optical property,if I set some parameters about the optical property,and I will get some output files,ie,absorp_index.out absorp_coef conductivity.out et al,but I don't get more information about these output files,whether I have to deal

Re: [SIESTA-L] eig2dos error

Dear Zhiyong I haven't done anything about the optical properties unfortunately and I can't help you with that. Cheers Javad On Fri, 26 Sep 2008, zhiyong wang wrote: Dear Javad:   I have a problem about the computing of optical property,if I set some parameters about the optical