votca/xtp: v1.7-dev
G0W0 rpa energies are fixed in BSE (#383) Hqp part of BSE can be separate from QP range (#388) Fixed Cuda implementation (#391) Plain, linear, and Anderson mixing in evGW Use a general syntax to represent all QMPackages input (#318) Remove support for both Gaussian and NWChem (#318) Fixed executable...
Main Authors: | , , , , , , , , , , , , , , , , , , , |
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Format: | Software |
Language: | unknown |
Published: |
2020
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Subjects: | |
Online Access: | https://zenodo.org/record/3962306 https://doi.org/10.5281/zenodo.3962306 |