*RHO1

For each unique pair (A,B) of centers a formatted file is created, containing four columns of numbers: The origin is placed at atom A, and the first column gives the coordinate in Angstroms along the line between centers A and B. The following columns contain the total, large and small component density, respectively (in atomic units). The file is named ‘RH’,NAMN(ICENTA),NAMN(ICENTB),IDEGB where ICENTB is the name of symmetry-independent center B and IDEGB the numbering of the dependent center. Underscores are inserted wherever there are blanks. The generation of the density requires the coefficient file DFCOEF. Note that one can in principle obtain the density along any line simply by introducing ghost centers.

For uranyl one may use the command:

pam --incmo --get ``RHU___O____1  RHU___O____2 ...

.PRINT

Print level. Default:

.PRINT
 0

.MESH

Step length for grid. Default:

.MESH
 0.01