Sorry, but the other email response was not right. run_lapw uses just the full density, no spin. Probably what you want to use.
runsp_c_lapw has the same density in the up/dn spins. It can be used to include terms such as orbital corrections with a non-magnetic density (as up=dn). runsp_lapw is the most general for up different from dn. run_lapw & runsp_c_lapw are similar, different from runsp_lapw, the later being slower. All version take both real (inversion) and complex (no inversion) cases. You can get information by doing "run_X -h | more" with X the different version. --- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Partner of the CFW 100% gender equity project, www.cfw.org/100-percent Co-Editor, Acta Cryst A On Feb 27, 2016 05:17, "Dr. Komal Bapna" <komal.ba...@gmail.com> wrote: > Dear Wien users > > I want to get the non-magnetic ground state of a system. I am not able to > find if there is any difference between run_lapw and runsp_c_lapw commands. > Which command I should use. > > Regards >
_______________________________________________ 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@zeus.theochem.tuwien.ac.at/index.html
