Helps you calculate the charge density, energy and electronic structure of systems composed of electrons, molecules and periodic solids. #Electronic structure #Electron system #Nuclei system #Electronic #Structure #Calculate
Abinit is a complete package that enables you to use pseudopotentials and a planewave basis to discover the electronic structure, charge density and total energy of various systems within Density Functional Theory or DFT for short.
On top of that, Abinit also helps you perform molecular dynamics simulations using the DFT stresses and forces.
You can also optimize the geometry and even generate dielectric tensors, dynamical matrices and Born effective charges based on the Density-Functional Perturbation Theory.
Abinit is capable of computing excited states within the Many-Body Perturbation Theory or Time-Dependent Density Functional Theory.
What's new in Abinit 7.10.4:
- some bug in the parallel case (bandpp>1, istwfk>1) have been removed
- bug fix in nspinor 2 nspden 1 case with LDA + U
- symmetrization was not complete, for DFPT phonon case with non-linear XC core correction
- bug fix in DFPT + PAW + paral_band case
Abinit 7.10.4
add to watchlist add to download basket send us an update REPORT- runs on:
- Mac OS X (-)
- file size:
- 69.9 MB
- filename:
- abinit-7.10.4.tar.gz
1 screenshot:
- main category:
- Math/Scientific
- developer:
- visit homepage
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