Difference between revisions of "Sisl"
Jump to navigation
Jump to search
(Created page with "Category:SoftwareCategory:PhysicsCategory:Tight-binding {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|sisl}} |{{#vardefine:url|https://github.com/zerothi/sisl...") |
Moskalenko (talk | contribs) m (Text replacement - "#uppercase" to "uc") |
||
| Line 41: | Line 41: | ||
--> | --> | ||
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable directory |
<!--Configuration--> | <!--Configuration--> | ||
{{#if: {{#var: conf}}|==Configuration== | {{#if: {{#var: conf}}|==Configuration== | ||
Revision as of 21:24, 6 December 2019
Description
The sisl toolbox provides a simple API for manipulating, constructing and creating tight-binding matrices in a standard and uniform way. Secondly it provides easy interfaces for creating and calculating band-structures of simple tight-binding models as well as interfacing to more advanced DFT utilities.
sisl may also be used together with the ASE environment.
sisl provides an interface to TBtrans and thus enables the calculation of transport using the Green function method and easily allows calculation of tight-binding systems of more than 500,000 atoms.
Required Modules
Serial
- gcc/5.2.0
- sisl
System Variables
- HPC_SISL_DIR - installation directory
- HPC_SISL_BIN - executable directory