LIST

Input File ›› Keywords ››
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LIST   Keywords


This command instructs the program to output additional information. At present, the possible values of Keywords are:

ATOMS

List of atoms in the unit cell

DIST value1 value2 value3

List of distance of the peaks between value1 and value2. Value3 is the maximum distance for angle calculations

In default, value1 = 1.000, value2 = 2.5 Å., value3 = 0.0 Å.


Example:

LIST atoms

LIST dist 1.8  2.25  0.0