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scan_H2.sh fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00
scan_LiF.sh scan diatomics 2019-09-23 18:36:55 +02:00
scan_LiH.sh scan diatomics 2019-09-23 18:36:55 +02:00
scan_N2.sh fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00

QuAcK

QuAcK is a small quantum chemistry package which does some weird stuff. In particular, quack can performed i) various types of GW calculations (G0W0, evGW, qsGW, etc). ii) ensemble DFT calculations (under progress) QuAcK also include a very slow integral package called IntPak which does compute many types of different integrals.