Gaussian manual cubegen

Examples of jobs that may be displayed are Gaussian jobs submitted from the Gaussian dialog box, Gaussian input file edit sessions launched from GaussView, CubeGen processes for building surfaces for display, FreqChk processes to generate vibrational analysis data, and/or processes from other Gaussian utilities. Figure The Job Manager Dialog.  · By reading the information from Gaussian about cubegen, you would find out, that use of cubegen is like the following. cubegen nprocs kind fchkfile cubefile npts format cubefile2. They further elaborate about nprocs: nprocs. Number of shared memory processors used .  · The CubeGen Utility This utility creates a cube file from the information stored in a Gaussian 16W checkpoint file, in a manner similar to the Cube keyword. It .

The CUBE file format is described on the Gaussian webpage as part of the documentation of the cubegen utility. As noted there, all data in CUBE files MUST be stored in atomic units (electrons and Bohrs, and units derived from these). cubegen. Gaussian includes a standalone utility for generating cubes from the data in a formatted checkpoint file (equivalent to the previous Cube keyword). The utility is named cubegen, and it has the following syntax: cubegen nprocs kind fchkfile cubefile npts format cubefile2. Examples of jobs that may be displayed are Gaussian jobs submitted from the Gaussian dialog box, Gaussian input file edit sessions launched from GaussView, CubeGen processes for building surfaces for display, FreqChk processes to generate vibrational analysis data, and/or processes from other Gaussian utilities. Figure The Job Manager Dialog.

10 вер. р. cubegen. Gaussian offers a standalone utility for generating cubes from From here the online manual linked above can also be reached. In order to use Gaussian you need to install Gaussian separately. G09W, G03W Start Cubegen of the utility, read www.doorway.ru file and create the Cube file. cubegen is explained in the "Gaussian User's Reference". The formchk utility can be used to generate a formated (ASCII) version of the checkpoint file. formchk.