Gaussian 16 Revision C.01 _top_ Here

The core of the C.01 update was a collection of new modeling capabilities and long-awaited features, particularly in the field of wavefunction analysis.

If you are still running Revision A or B, the upgrade to C.01 (or the subsequent C.02 for A100 support) is primarily about hardware efficiency reliability

If you are using this on a cluster, you can typically specify this version in your job submission script using a flag like -rev g16c01 specific installation requirements gaussian 16 revision c.01

Gaussian 16, Revision C. 01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, Gaussian.com Gaussian 16 Rev. C.01/C.02 Release Notes | Gaussian.com

Ensure your %NoSave and environment variable setups ( GAUSS_SCRDIR ) point to fast local storage (such as NVMe SSDs). Revision C.01 processes two-electron integrals rapidly; slow storage networks (like standard mechanical HDDs or remote NFS drives) will bottleneck the CPU gains provided by this revision. Conclusion The core of the C

Revision C.01 is the last major update to the Gaussian 16 series before the anticipated release of Gaussian 16 Rev D.01 (and subsequently Gaussian 16 Rev C.02 for security patches).

Accurate handling of heavy elements using Effective Core Potentials (ECPs) and Douglas-Kroll-Hess (DKH) relativistic corrections. 4. Hardware and Platform Compatibility Trucks, H

: Support was added for raw binary files using 4- or 8-byte integers, facilitating easier interfacing with external analysis tools.

Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H. et al. , Gaussian, Inc., Wallingford CT, 2016. 2 requirements for this revision? Citation - Gaussian.com