[Wien] steps for GGA+U method

Dear Prof. Blaha and users Can anyone tell me the steps to be carried out for GGA+U method Thanks in advance Regards ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST

Re: [Wien] steps for GGA+U method

Dear Prof. Blaha and users Can anyone tell me the steps to be carried out for GGA+U method Thanks in advance Regards 2015-05-29 18:55 GMT+07:00 Sayah Jamal sayahj...@gmail.com: Dear Prof. Blaha and users Can anyone tell me the steps to be carried out for GGA+U method Thanks in advance

Re: [Wien] steps for GGA+U method

1) Select GGA during init_lapw (or later by modifying case.in0) [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07478.html ] As described in section 4.5.6 Orbital potentials on page 47 in the WIEN2k 14.2 usersguide [ http://www.wien2k.at/reg_user/textbooks/usersguide.pdf