Page History
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| HPC Centre | Gaussian | Turbomole | GAMESS | NWChem | ORCA | Terachem | ADF | CFOUR | CP2K | CPMD | Crystal09 | Dalton | DFT-D3 | Molcas | Molpro | MOPAC | Quantum Espresso | Siesta |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ACK CYFRONET AGH | 09.D1 | 6.6 | 2012.R2 | 6.3 | 1.5 | 2013.01 | 1.0 | 2.4 | 3.13.2 | 2013.1 | 3.0.2 | 2012.1.0 | 5.0.2 | 3.2 | ||||
| ICM UW | 09.D1 | 2012.R2 | ? | 1.0 | ? | |||||||||||||
| PSNC | 09.D1 | 2009.R3 | 6.0 | 1.0 | 3.13.2 | 5.0.3 | ||||||||||||
| CI TASK | 09.D1 | 2012.R2 | 6.1.1 | 1.0 | 2.0 | 5.0.3 | ||||||||||||
| WCSS | 09.D1 | 6.6 | 2013.R1 | 6.3 | 3.0.1? | 2013.01 | 1.0 | 2.5.1 | 3.13.2 | 2.0.1 | 2013 | 7.8 | 2012.1.5 | 7.1 | 3.0-rc2 |
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| Functional | Gaussian | Turbomole | Molpro | GAMESS | NWChem | ORCA | Terachem | ADF |
|---|---|---|---|---|---|---|---|---|
| LC-wPBE | x | x | x | |||||
| CAM-B3LYP | x | x | x | |||||
| wB97XD | x | x | ||||||
| wB97X | x | x | ||||||
| wB97 | x | x | ||||||
| LC-BLYP | x | x | x | |||||
| LC-PBE0 | x | x | ||||||
| LC-PBE | x | |||||||
| BNL | x | |||||||
| LC-wPBEh | x | |||||||
| HSE03 | x | x | ||||||
| HSE06 | x | x |
Methods of solvents or environment treatment
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