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Docs/H03-May-2022-80,27762,567

Examples/H27-Jan-2021-11,51411,231

Obj/H27-Jan-2021-909684

Pseudo/H27-Jan-2021-1612

Src/H03-May-2022-554,790346,673

Tests/H27-Jan-2021-564,647520,178

Tutorials/H27-Jan-2021-14,77414,495

Util/H27-Jan-2021-171,422136,358

.gitignoreH A D27-Jan-2021366 3130

AUTHORSH A D27-Jan-202180 52

COPYINGH A D27-Jan-202134.2 KiB677553

README.mdH A D27-Jan-20211.4 KiB3021

ReleaseNotes.mdH A D27-Jan-202124 KiB717449

version.infoH A D28-Jan-20215 11

README.md

1SIESTA is a program for efficient electronic structure calculations
2and ab initio molecular dynamics simulations of molecules and
3solids in the framework of Density-Functional Theory (DFT).
4SIESTA's efficiency stems from the use of a basis set of
5strictly-localized atomic orbitals. A very important feature of the
6code is that its accuracy and cost can be tuned in a wide range, from
7quick exploratory calculations to highly accurate simulations matching
8the quality of other approaches, such as plane-wave methods.
9
10The main web page for the project is at [icmab.es/siesta](https://icmab.es/siesta).
11
12Further information:
13
14* Siesta development is multi-pronged, with stable, beta, and various
15other branches with the latest features. A guide to the different
16versions can be found
17[in the project wiki](https://gitlab.com/siesta-project/siesta/-/wikis/Guide-to-Siesta-versions).
18
19* TranSiesta is now part of the executable, see the documentation for details.
20
21* The LaTeX source for the manual is in Docs/siesta.tex. Assuming you have
22a working Tex/LaTeX installation, you can type `make final` to generate a pdf file.
23Alternatively, manuals in pdf can be found in the Documentation section of the main web page.
24
25* Tutorial material can be found also in the Documentation section of the main web page.
26
27For bug reports, and other code suggestions, please follow the guidelines
28in the file Docs/REPORTING_BUGS
29
30