[Pw_forum] homo lumo calculations

Muhammad Adnan adnansaqlain at gmail.com
Fri Nov 7 18:08:44 CET 2014


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
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