Comments (1)
Hi
Question 1
Yes but you have to do the job. I will update as soon as possible a new python module with easy functions to do that, but it is still not achieve. In the meantime, you can look at this notebook about MnO but here I use plotly to do the plot.
Question 2
If you look at, for example, Cu_bands/bands_Cu.py at line 62
# set ylim for the plot
# ---------------------
emin = -10.
emax = 10.
Variables, emin
and emax
set the range of y axes.
Question 3
Yes, you can but you have to use Procar.data
attribute from the Procar
object of pymatgen. Look at graphene/graphene.py for example.
# projected bands
data = Procar("./bands/PROCAR").data
For example, you can then get one coefficient with :
data[k][b][Orbital.py.value]
where k
and b
are over kpoints and bands respectively.
from bandstructureplots.
Related Issues (14)
- Get an error when using bands_Si.py as template to plot my system HOT 3
- BandStructure of complex compounds include more than one branch HOT 1
- Problems with outdated modules HOT 1
- Energy Range Problem HOT 4
- graphene band structure and dos
- projected bands with SOC
- Two warnings HOT 2
- Distance between k-points HOT 2
- How to plot the band structure for more than three specific orbital?
- About figure HOT 3
- pdos and tdos HOT 1
- bandplot for atoms
- Why you squaring the contribution of differnent orbitals
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from bandstructureplots.