Calling the program

If you have the DIALECT executable in your PATH, you can simply start a calculation using

dialect file.xyz

Otherwise you would have to call the program using the full path to the DIALECT binary

/your/path/to/DIALECT/dialect file.xyz

Normally the output of the program is printed to the console. To save the output to a file, use:

dialect file.xyz &> output.dat

If you intend to use the built in DFTB parameterization, you are required to set the DIALECT_SRC_DIR to the folder containing the source files of the program:

export DIALECT_SRC_DIR=/your/path/to/DIALECT