hi akbarinejad First, you must have the files required by denchar program (. DM. DIM. PLD. WSF) .ion of each species and an input file (.fdf), denchar program must be compiled in the same system that generated these files. you must also specify in denchar imput file the mode of representation (2D or 3D), taking into account the two-dimensional or three-dimensional axes (you can find axemples in Src/Util/denchar), you must specify the same system label name as in systemelabel.DM .DIM .PDL and .WSF, this last file needed if you want plot wave functions (it gives all the wave fuctions that specified in siesta input) Regards slimane,
--- En date de : Sam 25.12.10, zahra akbarinejad <[email protected]> a écrit : De: zahra akbarinejad <[email protected]> Objet: [SIESTA-L] Denchar À: [email protected] Date: Samedi 25 décembre 2010, 12h51 Hi siesta users Can any one tell me how can I use Denchar data? thanks akbarinejad
