quickCBS：Easily calculating CBS extrapolated energy
Latest version：1.0.1 (Release date: 2021-Dec-22)
Developer
Dr. Tian Lu (sobereva[at]sina.com. Beijing Kein Research Center for Natural Sciences, China)
Citation
Tian Lu, quickCBS program, http://sobereva.com/soft/quickCBS (accessed month day, year)
Download
The file with .exe extension is executable file for Windows platform, the one without extension is executable file for Linux system. There is no MacOS version.
Introduction
Extrapolation is a technique to approximately obtain result at higher level of basis set based on the result calculated at two or more lower basis sets. If the aim of extrapolation is to estimate the result at complete basis set (CBS) limit, then it is known as CBS extrapolation. The quickCBS is a simple tool used for easily realizing extrapolation of energy by creating input files and analyzing output files of quantum chemistry program. Currently Gaussian program is supported.
Usage
See manual.pdf in the program package
Update History
2021-Dec-22, version 1.0.1: Make windows (Linux) version of quickCBS able to deal with files outputted by Linux (Windows) version of Gaussian
2020-Mar-11, version 1.0: Initial publicly release