LSDalton

Software description

The Dalton suite consists of two separate executables, Dalton and LSDalton. The Dalton code is a powerful tool for a wide range of molecular properties at different levels of theory, whereas LSDalton is a linear-scaling HF and DFT code suitable for large molecular systems, now also with some CCSD capabilites.

Homepage: daltonprogram.org/

NSC documentation

Available Modules


1.0-nsc1-intel-2018a-eb

Installation of the LSDalton 1.0 release.

Load with:

[user@system ~]$ module load LSDalton/1.0-nsc1-intel-2018a-eb

Online documentation

https://daltonprogram.org/