[Wien] GLLB Fermi-Energy
tran at theochem.tuwien.ac.at
tran at theochem.tuwien.ac.at
Sat Sep 8 10:12:04 CEST 2018
How were generated these two scf files?
On Saturday 2018-09-08 05:57, Wien2k User wrote:
>Date: Sat, 8 Sep 2018 05:57:08
>From: Wien2k User <wien2k.user at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] GLLB Fermi-Energy
>
>Dear Prof. F. Tran;
>After a GLLB calculation I found two fermi energy values that come from
>case.scf and gllb.scf respectively
>Which one I have to take to insert it in the cas.insp file?
>
>Thank you in advance
>
>
>
>
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