[Wien] linearisation energy
Ghosh SUDDHASATTWA
ssghosh at igcar.gov.in
Tue Jun 15 14:14:32 CEST 2010
Please run the usual SCF with in1new or in1ef switch and check the case.in1
file.
Cheers
_____
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Ramkumar Thapa
Sent: Tuesday, June 15, 2010 4:31 PM
To: Mailing list for WIEN2k users
Subject: [Wien] linearisation energy
Hellow WIEN2k users,
Can any one tell me how to change the linearisation energy, in which file to
change.
Thanks in advance.
R.K.Thapa
INDIA
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