+
Skip to content

v10.4.5

Latest
Compare
Choose a tag to compare
@gonzex gonzex released this 06 Jul 05:39

DOWNLOAD : ABINIT source code (with configure) - 138MB.

Install notes, release notes, features, new user guide, abinit help, input variables, tutorial.

With respect to ABINITv10.4.3, bug fixes for GPUs, CMake, and also fix treatment of inversion symmetry for non-collinear calculations.

ABINIT v10.4 features : variational polaron equations, real-time time-dependent DFT, thermal transport, many improvement of MULTIBINIT, new molecular dynamics algorithms, entropy for thermal exchange-correlation functionals, stress in mGGA, more GPU, more multibinit, mGGA+abipy+GPU for orbital magnetization, GPU porting of DMFT and mGGA, many improvements of aTDEP, variable cell NEB, dynamical quadrupoles for standard pseudopotentials, tutorial for GWR, improvements in Chebyshev algorithm, two new workflows for Abipy, etc.

NB : The files "Assets" delivered below automatically by github are not to be used by normal users or developers. They do not contain the git information and some other files. For regular developers, it is advised to git clone, or even to access the ABINIT gitlab (see the instructions following the same link).

点击 这是indexloc提供的php浏览器服务,不要输入任何密码和下载