Dear afnan, What kind of analysis you would like to do? Calculate their energy? Dipole moment? Plot their shape?
On Friday, November 7, 2014, Muhammad Adnan <[email protected]> wrote: > Hi everyone > i am a beginner of Q_Espresso. i need help of forum members. > can any guide me how can i do HOMO and LUMO analysis of my system? > what keywords need to be specified in PP.x post processing. > need proper guidance > > Adnan > doctoral student > UFJF, Brazil > -- =================== Dr. Xiaochuan Ge (Giovanni) Center for Functional Nanomaterials Brookhaven national laboratory ===================
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
