hi siesta users. i need to calculate the bader charges of carbon nanotube. i generate symbol.bader.cube and symbol.rho.cube. my problem is the script file??? --- begin input file --- c h2o 1 c rho 2 c 4.0 6.0 5.0 3 c 2 4 c unformatted 5 c --- end input file --- can you explain me the third and fourth line? -- ----------------------------------------------------------------------------------------------------------------------------------------------- *Mr. Mourad BOUTAHIR* ; Doctorant à la Faculté des sciences MEKNES ; Laboratoire d'Etude des Matériaux Avancés et Applications (LEM2A) Université Moulay Ismail GSM : +212662770697; E-mail : *[email protected] <[email protected]>** <[email protected]>;* ---------------------------------------------------------------------------- ---------------------------------------------------------
