Questions tagged [dos]
The dos tag has no usage guidance.
3
questions
8
votes
1answer
140 views
Spin polarized DFT calculation in Quantum ESPRESSO
I am trying to run spin polarized DFT calculation on system Ti2FeSn.
I am doing vc-relax calculation to relax the unit cell but having problem to converge total energy. Total magnetization is also ...
9
votes
2answers
369 views
Plotting density of states of Fe(BCC) using Quantum ESPRESSO
I have run the DFT calculation and plotted DOS of Fe(BCC) in Quantum ESPRESSO. I have attached the plot:
(click on image to see clearly)
But It's a wrong plot as it is not matched with the referenced ...
16
votes
2answers
670 views
What are some good band-structure/DOS plotting tools/styles?
I am currently using p4vasp for drawing DOS and band-structure plots, but it is not much handy in modifying the OUTPUTS. Could you please suggest any other good software or tools for that?
