This example was
run using option 2b using an FDAT filename
which is the same as the refcod.
Input files
Output files
DMAREL
The following only provide a quick guide to the program DMAREL, for full details of the capabilities of the program, please refer to the DMAREL manual.
Input files
fort.20 (from NEIGBOURS output)
Output files
fort.8 - Lattice vectors and molecule coordinates of minimised structure
fort.12 - summary file
fort.13 - spf file
fort.14 - empty file, please ignore
fort.15 - FDAT file
fort.16 - SHELX file
fort.30 - Crystal information,
graphic
- graphic output