-- Forwarded message --
From: mitra narimani
Date: 2016-04-13 13:02 GMT+04:30
Subject: Fwd: Error in lapwdm in GGA+U approach
To: wien@zeus.theochem.tuwien.ac.at
-- Forwarded message --
Subject: Error in lapwdm in GGA+U approach
To: wien@zeus.theochem.tuwie
-- Forwarded message --
From: mitra narimani
Date: 2016-04-13 12:54 GMT+04:30
Subject: Fwd: Error in lapwdm in GGA+U approach
To: wien@zeus.theochem.tuwien.ac.at
Subject: Error in lapwdm in GGA+U approach
To: wien@zeus.theochem.tuwien.ac.at
and my first case.struct is:
Subject: Error in lapwdm in GGA+U approach
To: wien@zeus.theochem.tuwien.ac.at
Dear Gavin abo
Thank you for your reply
I run my calculations with version 13.1 of wien2k and RmtKmax= 8.5,
Gmax=12.5, k-point=350. Please guid me about any change in files. My case.
inso is:
WFFIL
4 0 0 llmax,
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