Re: [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor

Thank you very much for your response How to calculate the spin part of the magnetic susceptibility for a ferromagnetic metal since the magnetic moment is different from zero. 2017-07-19 13:34 GMT+02:00 Wien2k User : > I did not underestimate his answer and the proof I

[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

Re: [Wien] Questions about imposing external magnetic field on no-magnetic system

An additional thought about the B field effect. The answer to what a B field is doing to the electronic structure might have also some more subtle aspects. One aspect is -- as usual -- the role of symmetry. Similar to the case of spin-orbit interaction in a ferromagnet, the application of a

Re: [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor

>From what I have understood from userguide and Prof P Blaha's replies; For semiconductor and insulator; there is the orbital part of the magnetic susceptibility only but for the metals there is also the spin part and I ask Prof. P Blaha and Prof Gerhard Fecher to confirm this answer or to

Re: [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor

I did not underestimate his answer and the proof I thanked him and I apologize if I did not convey my message well 2017-07-19 12:48 GMT+02:00 Wien2k User : > Dear Fecher, Gerhard > > You can answer me directly instead of asking me all these questions > otherwise I thank

Re: [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor

Well, I wouldn’t underestimate the value of Gerhard Fecher’s answers. They are no direct answers, yes. They are much more valuable than that (look up the meaning of ‘socratic questioning’, e.g. https://en.wikipedia.org/wiki/Socratic_questioning). An answer constructed by yourself, following a

Re: [Wien] magnetic susceptibility for a ferromagnetic metal or for a ferromagnetic semiconductor

Dear Fecher, Gerhard You can answer me directly instead of asking me all these questions otherwise I thank you for your answer and I will look for this book to read it and in the meantime I will wait for the answers of the users and prof P. Blaha that I much prefer. 2017-07-19 3:47 GMT+02:00

Re: [Wien] Correct band indexing in Wien2k?

18.07.2017 21:21, Dara Goldar wrote: Having run a simulation on GaAs without spin-orbit coupling ... for k=(0,0,0).* According to the scf-file bands bands 10-14 are occupied, while bands 15-20 are not. At the origin, I expected bands 12-14 to be identical in terms of the weight between the

Re: [Wien] Correct band indexing in Wien2k?

Hi, There are probably bugs in your code. In addition, in some cases the norm is very different from 1. Without knowing how you are calculating the norm it's not possible to say more. FT On Tuesday 2017-07-18 19:21, Dara Goldar wrote: Date: Tue, 18 Jul 2017 19:21:58 From: Dara Goldar