[Wien] HUMO LUMO

Tran, Fabien fabien.tran at tuwien.ac.at
Fri Jan 31 15:55:31 CET 2020


The band ranges are given in case.scf (search for :BAN). The third column is the occupancy.


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From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Wahid Kamal <kamal.wahhid at gmail.com>
Sent: Friday, January 31, 2020 3:05 PM
To: Wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] HUMO LUMO

Dear wien2k users;

how to find HUMO LUMO using WIEN2k?
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