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If a particular setting of optimization cycles is desired, however, this can be specified using opt=(maxcycles=n) (default maxcycle in Gaussian is n=20) The default optimization algorithm included in Gaussian is the "Berny algorithm" developed by Bernhard Schlegel. Keyword List; Gaussian 09 Utilities; Running Gaussian 09 Submitting your Gaussian job If you haven’t saved your input file yet, Gaussview will Prompt you to save your input file. III lsDalton Reference Manual 4. pdf), Text File (. It aids in the creation of Gaussian input files, enables the user to run Gaussian calculations from a graphical interface without the need for using a command line instruction, and helps in the interpretation of Gaussian output (e. 高斯软件文档，提供量子化学和分子建模的用户指南，包括输入文件、命令、关键词和实用工具等。 This document provides an overview of Gaussian 16, a computational chemistry software. 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