Gaussian 16, Revision C.01, M. J. Frisch, et al., Gaussian, Inc., Wallingford CT, 2019.
Significant local scratch space (SSD recommended) for high-level correlation methods. gaussian 16 revision c.01
: Mean absolute deviation (MAD) for reaction energies remained identical to Rev B.01 within 0.02 kcal/mol, confirming numerical stability. Gaussian 16, Revision C
: Calculating NMR, IR, Raman, UV/Vis, and photoelectron spectra . Gaussian 16 Revision C
Gaussian 16 Revision C.01, released by Gaussian, Inc. , is a major update to the world-renowned quantum chemistry software package [11, 22]. This revision introduced critical performance enhancements and hardware support that significantly expanded its computational capabilities. 1. Key Performance & Hardware Support A100 GPU Support:
: The update established dynamic task allocation as the default for Linda workers, which helps balance workloads more effectively across network-parallel clusters.