Assignment with symmetry.

In case it is calculated with symmetry, the following syntax is valid:

<NAMEX> <EEX> <WT> [<TERMEX> <ICTEX>  [- [<TERMEX> <ICTEX>

<NAMEX> is a freely choosable denotation for the experimental energy, <EEX> the numerical value of the experimental energy in and <WT> the weight by which EEX shall enter into the least squares function. <TERMEX> must be a term symbol known to the program through which the state being searched for can be identified by AOMX. A term symbol consists of one of the irreducible representation symbols listed below which in case of calculation without spin-orbit coupling must be prefixed with the spin multiplicity. The following irreducible representation symbols are known to the program:

A1  A2  E   T1  T2  G6  G7  G8    
A1  A2  B1  B2  E   G6  G7        
A1  A2  E   G4  G56               
A   B1  B2  B3  G5                
A   B   G3                        

Valid specifications of <TERMEX> are, for example: 4T2, 6A1, 3B2 (without SOC) or T2, A1, G6 (with SOC). Through <ICTEX> you must specifiy which occurence (sequence number) of <TERMEX> AOMX shall look for.

If you give several <TERMEX> <ICTEX> pairs, the program will calculate average values of theoretical energies. If a minus sign is inserted between two <TERMEX> <ICTEX> specifications, AOMX will first average to the left and right of the minus sign and then form the difference. In this way, splittings can be declared.