Re: [Wien] A quiry on TBmBJ+EECE calculations.

2017-07-02 Thread tran
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.

Re: [Wien] A quiry on TBmBJ+EECE calculations.

2017-07-02 Thread Osama Yassin
Yes I did. Get Outlook for Android<https://aka.ms/ghei36> 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

Re: [Wien] A quiry on TBmBJ+EECE calculations.

2017-07-02 Thread Gavin Abo
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

Re: [Wien] A quiry on TBmBJ+EECE calculations.

2017-07-02 Thread tran
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

[Wien] A quiry on TBmBJ+EECE calculations.

2017-07-02 Thread Osama Yassin
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