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:
>
> 2.074/sqrt(2) 2.074/sqrt(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 v
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 [
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07695.html
> ]. So it is
>
>
> -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 (Kram
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
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) )!!!
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 hal
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 (GAUSS,ROOT,TEMP,TETRA
8 matches
Mail list logo