Related Issues (20)
- DOS of 8 atoms Si is wrong HOT 1
- SOC: not converged in some cases HOT 2
- Issue in cell-relax calculation HOT 6
- Can ABACUS do rt-TDDFT calculation, I need a notebook to learn how to use.
- Can ABACUS work with VASP-kit or ATOM-kit, I want a documentation to learn how to use HOT 2
- Hard to reach convergence of some magnetic elements & abnormal slow of ABACUS `scf` calculations HOT 8
- Double peak memory cost in `cast_memory_op` HOT 1
- Downsampling the k points in K_Vectors, required in the planewave hybrid functional calculation
- A same deepks example can converge in the old version, but not in the new version HOT 5
- DCU OOM in INIT BASIS and SCF HOT 2
- The Absolute Zero Plan
- Do not allocate extra memory in function `hamilt::diago_PAO_in_pw_k2`
- Do not use large extra memory in `force.cpp`
- Remove GlobaC in module_gint
- Warning with intel icpc compiler while compiling diago_bpcg.cpp
- Hybrid functional HSE cannot give right bandgap of Si HOT 9
- Compiling the GPU version of ABACUS takes too much time
- mulliken_charge.cpp needs some refactorization
- bugs in cell-relax with symmetry=1 HOT 10
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 abacus-develop.