BINARY | The plot point coordinates and connectivities are read from the external binary file LAT.bin. This is the default. | ||
ASCII | The plot point coordinates and connectivities are read from the external ascii file LAT.asc. | ||
POLYGON | Starting points for the critical point search are generated by the polygon algorithm. | ||
READ | The plot point coordinates are read from the file deMon.inp. |
1814 .312196E+00 -.729474E+00 .105260E+01 .243158E+00 -.765796E+00 .105260E+01 .243158E+00 -.729474E+00 .917119E+00
1 2 3 4 5 6 6 7 8
The first integer (here 1814) denotes the number of points. For each point, a line is then given with its coordinates (, and ). The integer triples after the coordinate specifications are the connectivities. This part of the input is optional. The LAT.asc file can be generated easily from the deMon.lat file (see 4.10.5) and used directly for visualization with VU.
With the POLYGON option, starting points for the critical point search are generated automatically. In the case of the electronic density, this algorithm usually generates a sufficient set of starting points to find all critical points. This is not the case for the critical points of other molecular fields. The READ option can be used to read point coordinates from the input file deMon.inp. The coordinates are given in free format in the keyword body of POINTS, one input line for each point.