Keywords
| TITL | print title of data. Allow multiple line titles. |
| PRIN | selection of things to be printed out. |
| DIME | DYNAMIC CORE ALLOCATION. |
| LATT | INPUT OF LATTICE VECTORS. |
| BASI | INPUT OF CRYSTAL BASIS. |
| DEFE | input defects removed for DMAREL |
| ACCU | RE- SPECIFICATION OF COORDINATE ACCURACY. |
| REGI | SPECIFICATION OF REGION SIZES AND CUTOFF RADII. |
| OPTI | SPECIFICATION OF OPTICAL CALCULATION. |
| THER | SPECIFICATION OF THERMAL CALCULATION. |
| CUBI | SPECIFICATION OF CUBIC MATRICES. |
| HEXA | SPECIFICATION OF HEXAGONAL MATRICES. |
| DUMP | RESET OUTPUT CONTROL PARAMETER. |
| POTE | INPUT OF THE POTENTIAL FUNCTIONS. |
| MAXI | MAXI in the wrong place |
| STAR | starting instructions. |
| STOP | STOP INSTRUCTION.
ignore blank lines between program sections. |
| FREE | freeze region iia instruction. |
| REST | restart instruction. |
| RESE | re-initialise parameters |
| PLOT | PLOT redundant |
IREC |
IREC |
REGN |
REGN => to do with defects so removed |
CUTO |
CUTO specification |
WRDU |
26 and 27 write/read relaxed coordinates |
| REDU | |
| PLDU | PLDU |
| PLRE | PLRE |
| ACCM | ACCM |
| NOIO |
|
| SMIV |
SMIV |
| THBO |
READ 3 BODY FORCE INFORMATION |
| JOBT |
request job time |
| GAME |
GAME redundant |
| BLEN |
BLEN redundant |
| REWI |
REWI |
| MOLE | MOLE |
| PT13 | |
| TORS | READ 4 BODY FORCE INFORMATION: redundant |
| TEST | TEST |
| TEMP | TEMP |
| DBAS |
DBAS SWITCH OFF BASIS ATOM |
| DUMP | |
| CHGC | SWITCH TO PERMIT RUN WITH CHARGED UNIT CELL |
| RANG | RANG |
| INFO | INFO |
| DEFS |
DEFS |
| STDC | STDC |
| DEFT |
DEFT |
| RDMA | RDMA |
| SCAL |
Scaling factor for DMAs |
| CLUS | set up as cluster calculation |
| SYMM | Symmetry adapted |
| FDAT | Read input FDAT file |
| ZVAL | Read number of formula units per cell |
| SEIG | |