In data 17 giugno 2009 alle ore 18:12:45, Weiguang Chen <chenweiguang82 at gmail.com> ha scritto: > We know the potential of a solid state consists of V_bare(atomic core), > V_hartree(Hartree contribution) and V_xc(exchange correalation) and so > on. I want to know which component is the main source when we try to get > the work function.
The first and the second together (plot_num=11, in pp.x); please see the example WorkFct_example in the examples/ directory of quantum-espresso regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/