[Wien] [SPAM?]

2014-01-29 Thread zahia ayat
    Dear wien2k developers and users I am interested in studying a compound GdH2,25. I use an open core treatement I change the energy parameter of the f-electrons in GdH22,5.in1 file to something like -1.0 Ry to avoid to be found the 4f-states by the lapw1, see the link:   3   -1.00   

Re: [Wien] (no subject)

2014-02-05 Thread zahia ayat
Le Mercredi 29 janvier 2014 13h39, zahia ayat a écrit :     Dear wien2k developers and users I am interested in studying a compound GdH2,25. I use an open core treatement I change the energy parameter of the f-electrons in GdH22,5.in1 file to something like -1.0 Ry to avoid to be found

[Wien] [SPAM?]

2014-06-09 Thread zahia ayat
Please what are the steps used for GGA+U ? Because i need to use it. thank you ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@ze