Category:Input files
The following information corresponds to an earlier version of BigDFT, from before the change to the yaml input format. In the meantime, bigdft-tool can be used to convert from the old input file format to the yaml format. An up to date list of input variables and default values may also be found in BIGDFT_ROOT/bigdft/src/input_variables_definition.yaml
List of pages describing the file formats used as input for BigDFT. BigDFT uses text files to specify its input parameters. Only the atomic position file is mandatory. All others specify calculation parameters and are optional. Here is the list of possible input files:

Used by bigdft |
Used by frequencies |
Used by BigDFT2Wannier |
Used by abscalc |
Pages in category "Input files"
The following 10 pages are in this category, out of 10 total.