On Dom, 24 Febbraio 2008 1:50 am, ?????? Shu-jun Hu wrote: > > Dear all, > Anyone who can tell me the unit of charge or spin density (the isovalue) > in the > xsf file?
The integral of the charge density over the unit cell should be the number of electrons, so its unit have to be 1 electron charge over the volume of the unit cell. Keep in mind that the unit of length is Angstrom. Spin polarization is just rho(up)-rho(down). Please note that xsf is not a format meant to be used for further postprocessing as the data is written with only 5 significant digits. Regards, LP -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) +39 040 3787 511 http://people.sissa.it/~paulatto/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
