Comments (3)
the original BandUP was written to be compatible with QE-5.1, which is quite old, and I am not sure if it makes sense to use it nowadays. As the original author @paulovcmedeiros dos not support the project anymore, for me it is also hard to maintain his style of code. So, I would conclude that the support of QE is dead in BnadUP, until there appears an enthusiast to restore it.
QE is supported in the banduppy project, althought htere are some , issues with spin-orbit coupling, which I will fix at some point.
from bandup.
thank you for this! I will try banduppy. How do you install it? Just run the setup.py and it finds the qe install?
from bandup.
You may just pip install banduppy
, i think the github version does not differ from pip, but bot completely sure. It does not need to find QE. Just run the script in the directory of the calculation, like in the tutorial.
from bandup.
Related Issues (20)
- Fermi energy HOT 2
- error in running bandup example2 HOT 1
- error in when running bandup in example2 step 4 HOT 2
- pypi package HOT 2
- Postprocessing issue in BandUP V2.9.0 HOT 1
- orbital projection HOT 3
- Error while generating the supercell k-path HOT 3
- Compilation failure due to missing file (spglib) HOT 5
- Error when compiling (./build) HOT 3
- Error while compiling spglib-1.5.2 HOT 1
- UnicodeDecodeError while generating SC k-path HOT 2
- Bandup plot HOT 1
- Carrier effective mass calculation HOT 1
- Error while executing the ./build command
- Error while executing the ./build command HOT 1
- Not understanding the colour mapped Electronic bands structure
- not work with Quantum Espresso 6.5 or beyond
- Problem facing with './build' HOT 1
- Installation problem on Mac M2
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 bandup.