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139148 of 102806 results
139.
package for electronic structure calculations
Summary
(no translation yet)
Located in Package: abinit
140.
This package contains the executables needed to perform calculations (however, pseudopotentials are not supplied). For a set of pseudopotentials, install the abinit-data package.
Description
(no translation yet)
Located in Package: abinit
141.
package for electronic structure calculations (Data files)
Summary
(no translation yet)
Located in Package: abinit-data
142.
This package contains a set of pseudopotentials and example inputs.
Description
(no translation yet)
Located in Package: abinit-data
143.
package for electronic structure calculations (Documentation)
Summary
(no translation yet)
Located in Package: abinit-doc
144.
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis.
Description
(no translation yet)
Located in Package: abinit-doc Package: abinit-data Package: abinit
145.
ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
Description
(no translation yet)
Located in Package: abinit-doc Package: abinit-data Package: abinit
146.
This package contains the documentation and tutorials.
Description
(no translation yet)
Located in Package: abinit-doc
147.
efficient, featureful word processor with collaboration
Summary
(no translation yet)
Located in Package: abiword
148.
Additional plugins that require significant amounts of extra software to function are in the various abiword-plugin-* packages.
Description
(no translation yet)
Located in Package: abiword
139148 of 102806 results

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