Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread pluto
...@zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread Hong Jiang
, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need also -c F. Tran On Mon, 29 Jul 2013, pl...@physics.ucdavis.edu wrote: Dear Wien2k experts, I have a problem calculating DOS

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread pluto
users Betreff: Re: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need also -c F. Tran On Mon, 29 Jul 2013, pl...@physics.ucdavis.edu wrote: Dear Wien2k experts, I have a problem calculating DOS when both GGA+U and SO are switched on. I

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread Jose Mestnik Filho
Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread Jose Mestnik Filho
...@zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need also -c F

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread pluto
: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need also -c F. Tran On Mon, 29 Jul 2013, pl...@physics.ucdavis.edu wrote: Dear Wien2k experts, I have a problem calculating DOS when both GGA+U and SO are switched on. I tested on bulk Gd. I

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread Jose Mestnik Filho
...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO If this is a complex calculation (no symmetry inversion) then you need also -c F. Tran On Mon, 29 Jul 2013, pl...@physics.ucdavis.edu

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread Jose Mestnik Filho
Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U and SO

Re: [Wien] DOS with GGA+U and SO

2013-07-30 Thread pluto
Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at] Gesendet: Montag, 29. Juli 2013 19:53 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] DOS with GGA+U

Re: [Wien] DOS with GGA+U and SO

2013-07-29 Thread tran
If this is a complex calculation (no symmetry inversion) then you need also -c F. Tran On Mon, 29 Jul 2013, pl...@physics.ucdavis.edu wrote: Dear Wien2k experts, I have a problem calculating DOS when both GGA+U and SO are switched on. I tested on bulk Gd. I tried different options directly