need help in understanding the case.instrans file in Botlztrap code

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
venkatesh
Newbie
Newbie
Posts: 1
Joined: Wed Sep 11, 2013 11:30 am

need help in understanding the case.instrans file in Botlztrap code

#1 Post by venkatesh » Wed Sep 11, 2013 11:34 am

Dear sir,

Kindly help me to understand some of the parameters of the Bolztrap input file <case.intrans> in the user guide.

In the 2nd line from the bottom in <case.intrans>, i have seen a parameter which is described in a short sentence as "number of fixed doping". Is this
means, we are choosing the number of doping concentrations where the
properties could be evolved...? I think, with a predefined doping
numbers, we should also give the corresponding values of
concentrations in the below (ie. 1st line from the bottom).

The default values defined in the Botlztrap user guide are

----------------------------------------------------------------------
2 : number of fixed dopings
1E20 -1E20 : fixed doping levels in cm^-3
---------------------------------------------------------------------------

By the combinations of these two parameters, one can able to keep the
chemical potential at a fixed places (given by these concentration values) in DOS spectrum and obtain the transport properties for corresponding doping levels. is n't it ..?

what is the meaning of negative sign in front of concentration
values (1st line from the bottom)..? Is it represents the concentration for electrons..? (means, holes will get +ve sign).


It is a great help for me, if you explains these parameters in terms
of their physical significance.

thanking you and looking forward to answers.


regards,

Ch. Venkatesh,
C/o. Prof. V. Srinivas,
Department of Physics & Meteorology,
IIT Kharagpur.
ph: +919445909693
Last edited by venkatesh on Wed Sep 11, 2013 11:34 am, edited 1 time in total.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: need help in understanding the case.instrans file in Botlztrap code

#2 Post by support_vasp » Thu Sep 12, 2024 7:54 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


Locked