Thank you Mr. Marty Blaber. finally i could generate .EPSIMG file. however when i am computing the optical properties by using the command *./input <CdO.EPSIMG* i'm getting the following error. *STOP Too many frequency points*. I have taken all bands. I am also attaching my input file.Could you please help me with this.
Thank you On 23 May 2012 06:38, Marty Blaber <[email protected]> wrote: > Hi! > > It is considered good netiquette to read the manual before posting to the > mailing list. The manual says: > > Optical.NumberOfBands (integer): This option controls the number of bands > that are in- > cluded in the optical property calculation. > > The error says it can't find a number after the tag in the input file. The > manual has instructions on what values the input variables take. > If you wish to include all the bands in the optical calculation, remove > this line, then all states will be included. > If you only want some bands included, then type a number: > > Optical.NumberOfBands 200 > > Good luck :) > Marty > > > On 22 May 2012 19:52, acharya k.l.n. <[email protected]> wrote: > >> Dear SIESTA users, >> >> I have calculated optical calculations of CdO but i am getting the >> following error. can any one please specify what this means* FDF_INTEGER: >> No value for Optical.NumberOfBands* . >> >> I have attached my input file. >> >> Thankyou. >> >> -- >> With Regards, >> >> K L N Acharya, >> M.Tech., Nanoelectronics, >> SASTRA UNIVERSITY, >> Thanjavur. >> >> >> > -- With Regards, K L N Acharya, M.Tech., Nanoelectronics, SASTRA UNIVERSITY, Thanjavur.
CdO.fdf
Description: Binary data
