Gaussian 16 Rev. B.01 Release Notes

Features and changes introduced in Rev. B.01 are indicated by [REV B].New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed[wonderplugin_tab_content]New Modeling Capabilities[REV B] Static Raman intensities can be computed for excited...

Gaussian 16 Rev. C.01 Release Notes

Features and changes introduced in Revs. B.01 and C.01 are indicated by [REV B] and [REV C], respectively.New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed New Modeling Capabilities [REV C] NBO version 7 is supported. There are new...

Information for Earlier Revisions of G16

Previous release versions are listed below, along with links to their corresponding material. Rev. B.01 Supported Platforms Release Notes Citation Installing from source code   Rev. A.03 Supported Platforms Release Notes Citation Installing from source code Last...

g16 Command Line Options

OptionsEquivalencies [wonderplugin_tab_content] Command Line Options The g16 command accepts the following options on all platforms:...

Using GPUs

Using GPUs Gaussian 16 can use NVIDIA K40, K80, P100 (Rev. B.01) and V100 (Rev. C.01) GPUs under Linux. Earlier GPUs do not have the computational capabilities or memory size to run the algorithms in Gaussian 16. Allocating Memory for Jobs Allocating sufficient...

Lines in a ModRedundant input section use the following syntax: [Type] N1 [N2 [N3 [N4]]] [A | F] [Type] N1 [N2 [N3 [N4]]] B [Type] N1 [N2 [N3 [N4]]] K | R [Type] N1 [N2 [N3 [N4]]] D [Type] N1 [N2 [N3 [N4]]] H diag-elem [Type] N1 [N2 [N3 [N4]]] S nsteps stepsize N1,...