Difference between revisions of "Sisl"
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| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
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==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== | ||
Latest revision as of 23:01, 21 August 2022
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.
Environment Modules
Run module spider sisl to find out what environment modules are available for this application.
System Variables
- HPC_SISL_DIR - installation directory
- HPC_SISL_BIN - executable directory