[Wien] (no subject)

I want to calculate anisotropy in magnetoresistance. I want to to apply both magnetic field and current at same time to a system. In wien2k through inorb I can apply magnetic field, but how to give current at the same time. -- Sudipta koley Department of Physics IIT KHARAGPUR

[Wien] spagh2rho Output Files

Hello, I was wondering if someone could give me insight into the form of the fort.xx output files from spagh2rho? For example, I can see that for a simple cubic case with 6x6x1 kmesh, the NXinter and NYinter would both be 11, and the program outputs 121 values in the fort.xx file. How are those

Re: [Wien] (no subject)

Magnetic field is applied to induce orbital effects here. On Wed, May 23, 2018 at 11:23 AM, Karel Vyborny wrote: > All right, I see. And what do you need the magnetic field for? Is it > really to induce "orbital effects" or you just need to manipulate magnetic > moments (if

Re: [Wien] (no subject)

Someone else may know differently, but as far as I know, WIEN2k has no function for calculating MR (magnetoresistance). I don't know the details of what your are trying to do exactly, but it may be that WIEN2k's magnetic field doesn't do what you think it does. Refer to the previous posts:

Re: [Wien] (no subject)

All right, I see. And what do you need the magnetic field for? Is it really to induce "orbital effects" or you just need to manipulate magnetic moments (if your system is magnetic)? Cheers, Karel --- x --- dr. Karel Vyborny Fyzikalni ustav AV CR, v.v.i. Cukrovarnicka 10 Praha 6, CZ-16253

Re: [Wien] (no subject)

Hi all, I am not calculating MR directly from WIEN2K, what I want to do is to get a band structure at particular direction of magnetic field (say 3T at different angle 20, 40, 60, 80 and so on...) with current. I shall use that band structure in DMFT to get resistance. So I asked how to apply

Re: [Wien] spagh2rho Output Files

The fort.xx format should be described in the post at: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-December/018026.html There is fort2dx [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08441.html ] if you need to convert it to dx format.  The fort2dx should be in