JDFTx  1.7.0
Input file documentation

## Input file format

• The input file may contain commands in any order; commands will be automatically processed in an order that satisfies all dependencies
• Each command is a single line, but lines can be continued using "\"
• Whitespace is unimportant, except for separating words in each line
• Any text following "#" on an input line is treated as a comment
• "include @<file@>" can be used to include commands from <file>
• Each instance of ${xxx} is replaced by environment variable "xxx" (Variable substitution occurs before command/include processing) • "set NAME VALUE" can be used to set an environment variable named NAME with value VALUE. This occurs before command/include processing, in the same pass as variable substitution. Therefore the order of "set xxx VALUE" and occurences of${xxx} in the input file does matter

See Index of commands for an alphabetical list of all available commands.

## Commands allowed in jdftx input files

### %Ionic

Geometry    coords-type    ion    lattice    latt-scale