Re: [Wien] Spin part of the magnetic susceptibility

Thank you very very much Dr. Martin Pieper 2017-07-21 13:33 GMT+02:00 Wien2k User : > Dear Wien2k Users; > I am still waiting for an answer from Prof P.Blaha or Wien2k users > > 2017-07-20 2:03 GMT+02:00 Wien2k User : > >> dear wien2k users; >> >> >> How to calculate the spin part of the magnetic

Re: [Wien] Spin part of the magnetic susceptibility

There have been several comments on this. I can only guess at what exactly you want to calculate, but to me it seems that calculating a (zero-field) spin-resolved DOS would be a good start. Then you shift the spin-up and spin-down parts rigidly by mu_B*B by hand, and count how many mu_B you ge

Re: [Wien] Spin part of the magnetic susceptibility

Dear Wien2k Users; I am still waiting for an answer from Prof P.Blaha or Wien2k users 2017-07-20 2:03 GMT+02:00 Wien2k User : > dear wien2k users; > > > How to calculate the spin part of the magnetic susceptibility for a > ferromagnetic metal since the magnetic moment is different from zero. > __

[Wien] Spin part of the magnetic susceptibility

dear wien2k users; How to calculate the spin part of the magnetic susceptibility for a ferromagnetic metal since the magnetic moment is different from zero. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/