Aug 3, 2023 · 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 …

If you have a large fchk file, generate the cube file on command line instead of submitting it as a job. If you need more memory, there is a special %mem for Gaussian that can be accessed …

May 10, 2009 · 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 …

Feb 5, 2022 · Gaussian16 is installed on a server, where I can optimize my structure or generate cubes. To make it short: What files e.g. only optimization or frequency do I need to use for …

Jul 21, 2017 · To extract any kind of data for making .cub/.cube files, you need a checkpoint file (.chk) from your run. This is performed by adding a %chk=FILENAME.chk line to the top of the …

Are you using the gaussian program on the linux server or window? The general procedure, to generate the cube file is as follow: (1) First convert the .chk file into .fchk. To know how to …

The cubegen utility can be used to generate cube files from a checkpoint file. This gives the same end result as using the cube keyword in the route card. cubegen is explained in the "Gaussian …

It is then advisable to generate the cubes separately from the formatted checkpoint file using the cubegen utility program. How this can be combined with generation of the formatted …

Mar 19, 2019 · Gaussian allows a variety of different types of cube files to be generated, including electronic densities/spin-densities/gradients, MOs, and electrostatic potential, along with …

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 …