[Wien] energy unit

yan song y.song at qmul.ac.uk
Mon Dec 6 18:28:18 CET 2004


It is the total number of atoms

-----Original Message-----
From: wien-admin at zeus.theochem.tuwien.ac.at
[mailto:wien-admin at zeus.theochem.tuwien.ac.at] On Behalf Of Ling Miao
Sent: Monday, December 06, 2004 4:47 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] energy unit

Hi,

I have a simple question. Is the total enery in case.scf file for one unit
cell or for total number of atoms, or others?

Thank you,
Ling

_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien




More information about the Wien mailing list