Improvements and bug fixing of STM workchain.

siesta-project / aiida_siesta_plugin

Source code for the AiiDA-Siesta package (plugin and workflows). See wiki

Other

6 stars 11 forks source link

Improvements and bug fixing of STM workchain. #44

Closed bosonie closed 4 years ago

bosonie commented 4 years ago

Some changes introduced in the STM workchain: 1) A bug in the definition of the energies for the LDOS is fixed. 2) Better error handling is introduced. 3) More useful information introduced in the report strings.