Dear Anna, On Mar, Agosto 26, 2008 19:31, Anna Maria Ferrari wrote: > 1) using the pp program to plot a property > what are the units of the e1 vector?
it is expressed in units of "alat" which usually is the celldm(1) parameter of you input > 2) how to perform a DOS projected on different atoms? (partial DOS) The program projwfc.x which is included in QE can do it... actually it computes pdos for all valence orbitals of all atoms in you system. See Doc/INPUT_PROJWFC.html for details; it should be straightforward to use (I'm assuming you are already familiar with normal dos calculations). cheers -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
