MateriApps
A Portal Site of Materials Science Simulation

now 326 Apps

Inquiry / Application Request
Detailed search

LOBSTER

  • Openness:3 ★★★
  • Document quality:2 ★★☆

A post-processor of first-principles calculations for performing COHP (crystal orbital Hamilton population) and COOP (crystal orbital overlap population) chemical bonding analysis. It works with VASP, ABINIT and Quantum ESPRESSO output. The program is provided under an academic-only license.

Information
Last Update:2021/03/06

Official site

http://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=1

License

Original license http://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=603&fileID=7
Availability Windows, MacOS, and Linux binaries are provided
Related App
Document S. Maintz, V. L. Deringer, A. L. Tchougreeff, R. Dronskowski, “LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.”, J. Comput. Chem. 2016, 37, 1030—1035. Other related references http://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=4
TOP