Hello Robert, Thank you for the quick answer.
Does it mean, that the standard version of Wien2k cannot do this? Regards, Lukasz > Hi, > > for that you need to compute whole spin density matrix, from it you can > extract all components of the spin magnetization. > However spin collinear code computes only diagonal part of the matrix, > therefore only z component can be determined. > To get x and y you would have to go for non collinear code. > > regards > > Robert > > > > On 31 March 2014 AM 5:13:02 pl...@physics.ucdavis.edu wrote: >> Dear All, >> >> When doing only SOC calculation, one defines the spin quantization axis >> when running initso. >> >> But how about FM + SOC? All is good as long as one plots spin projected >> on >> the magnetization easy axis. But how to e.g. define magnetization along >> 001 and plot spin projected on 100? >> >> I hope you can provide me some good hint! >> >> Regards, >> Lukasz >> >> _______________________________________________ >> 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 > -- > ================================================== > Dr. Robert Laskowski > > Senior Scientist, Materials Science & Engineering Department > Institute of High Performance Computing, A*STAR > 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 > Tel(Off): +65. 64191493 Fax: +65. 64632536 > ================================================= > > ________________________________ > > This email is confidential and may be privileged. If you are not the > intended recipient, please delete it and notify us immediately. Please do > not copy or use it for any purpose, or disclose its contents to any other > person. 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@zeus.theochem.tuwien.ac.at/index.html > _______________________________________________ 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