This calculates the polarizability and first and second hyperpolarizabilities [47] This routine has been completely re-written by Prof Henry Kurtz and Prakashan Korambath, of Memphis State University.

The POLAR calculation now gives the frequency-dependent NLO properties (α, β, and γ) at user-defined frequencies. 

See units.

If a POLAR calculation gives the message "Calculation of polarizability failed (This part of MOPAC is fragile)," and only the polarizability is needed, use STATIC

In 2004, the polarizability volume reported was modified by the use of additive corrections.

Examples of POLAR keyword

Description of user-definable terms in POLAR keyword.

To calculate the NLO quantities α, β, and γ at 1.0eV:
This same calculation can be set up by setting all the variables to their default value:


This takes up the entire keyword line. If more than one line is needed to hold the keyword, use the + option, as in:

+ symmetry 1scf uhf POLAR(IWFLB=0,E=(1.),BETA=0,GAMMA=1,TOL=1.D-3,MAXITU=501,

Note: This is not a recommended way of writing a keyword. In order for a keyword to be recognized, the 'join' of the two lines must be perfect. In other words, the last character of the first line must be in column 80, unless character 1 was not blank, in which case the last character must be in column 79. Anyhow, it is unlikely that such long keywords would be used very often.