Gaussian 16 Revision C.01 [updated] < VERIFIED - Pack >

If you are looking for the actual software, it is commercial and requires a license from Gaussian, Inc. If you are a student or researcher, check if your university has a site license.

One of the primary drivers behind Revision C.01 is the optimization for newer processor architectures. Gaussian has always been highly sensitive to CPU instructions (like AVX-2 and AVX-512). This revision includes: gaussian 16 revision c.01

For new users or those migrating from older Gaussian versions, here are typical input structures exploiting Rev C.01 features. If you are looking for the actual software,

-th step of an optimization, a feature essential for "floppy" or flexible molecules that otherwise require frequent restarts. Practical Usage and Implementation Gaussian has always been highly sensitive to CPU

: Corrected the route for Opt=(TS,ReCalcFC=N) and improved the GEDIIS optimization algorithm for better stability in floppy molecules .

Gaussian 16 Revision C.01 is available for Linux, Windows, and macOS (Intel-based). To get the most out of this revision, ensure your hardware meets the following:

: Revision C.01 introduced official support for NVIDIA V100 (Volta) GPUs under Linux for Hartree-Fock and DFT calculations. It also includes general performance optimizations for previously supported GPU types like the P100.