Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] A quiry on TBmBJ+EECE calculations.
Dear Tran,
Is Au-mBJ-eecee.r2v empty?
No it is not empty.
Did you initialized the calculation with init_mbj_lapw?
Yes I did using init_mbj_lapw from the Util menu.
Yes I did.
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From: t...@theochem.tuwien.ac.at
Sent: Sunday, 2 July, 4:23 pm
Subject: Re: [Wien] A quiry on TBmBJ+EECE calculations.
To: A Mailing list for WIEN2k users
Is Au-mBJ-eecee.r2v empty? Did you initialized the calcu
EN2k users <Wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] A quiry on TBmBJ+EECE calculations.
Dear Prof Blaha and Wien2k users,
In a previous post it is inferred that we can do mBJ+eece calculations.
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14711.html
Us
ien.ac.at>
To: A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] A quiry on TBmBJ+EECE calculations.
Dear Prof Blaha and Wien2k users,
In a previous post it is inferred that we can do mBJ+eece calculations.
http://www.mail-archive.com/wien@zeus.theochem.tuwien.a
Dear Prof Blaha and Wien2k users,
In a previous post it is inferred that we can do mBJ+eece calculations.
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14711.html
Using Wien2k version 16.1, I did successful TBmBJ caluctions. But when
including eece ( case.ineece, case.indm
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