Re: [Wien] updated email for -SP+SO case

For my comments, see below. I got the point but I still have some doubts. My system is half metallic. For  -up it is metallic while for -dn channel it is a semiconductor. So in case of semiconductor, the value of tetra in case.in2/c could be same (TETRA    0.000

Re: [Wien] updated email for -SP+SO case

Thank you very much Gavin for more clarification. Now I have few more queries, please see : For the -sp with -so, the spin orbit couples the spin up and dn together. So it seems that you can only get a single mixed metallic-semiconductor case as you have mentioned above. 1. As the system is

[Wien] why we need to divide plasma frequency by root(2)?

This is in continuation to my previous email about -sp+-so (final answer on that email is still needed). meanwhile, I have calculated plasma frequency for a metal case and I got below (case is -sp+-so): Plasma frequencies: !!! WARNING: w_pl = sqrt( w_pl^2(up-spin) + w_pl^2(dn-spin) )!!!

Re: [Wien] why we need to divide plasma frequency by root(2)?

I could be wrong, but I think you just need to take the sqrt(2) of each plasma frequency: 2.074/sqrt(2) 2.074/sqrt(2) 1.264/sqrt(2) then put them in case.inkram (not case.injoint). You should be able to use multiple plasma frequencies in case.inkram but don't forget to add a Gamma for drude

Re: [Wien] updated email for -SP+SO case

1. Another user had to calculate plasma frequency for a half metallic [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07695.html ].  So it is likely that you need to do it to. 2. Yes, you must recompile the optic package after replacing joint.f because it is a Fortran source

Re: [Wien] why we need to divide plasma frequency by root(2)?

> > > -case.injoint > xx > xx > 1 >> correction > 2.0740 2.0740 1.2640 > xx > --- > > were xx means no change in lines of case.inkram. > > > > At page numer 164 under section "8.11 KRAM

Re: [Wien] updated email for -SP+SO case

Thank you very much Gavin for detailed help. It is very helpful for us. Bhamu On Sun, Oct 22, 2017 at 3:59 AM, Gavin Abo wrote: > 1. Another user had to calculate plasma frequency for a half metallic [ >

Re: [Wien] why we need to divide plasma frequency by root(2)?

Thank you Gavin for a quick reply. I will follow all of your advice and will report if I face any difficulty. Bhamu On Sun, Oct 22, 2017 at 4:12 AM, Gavin Abo wrote: > I could be wrong, but I think you just need to take the sqrt(2) of each > plasma frequency: > >