Construction of the supermatrix file: *SUPINT

Directives affecting the construction of the supermatrix file is given in the *SUPINT section.

.NOSYMM

No advantage is taken of integral symmetry in the construction of the supermatrix file. This may increase the disc space requirements as well as CPU time. Since ABACUS do not use the supermatrix file (which it in the current version does not), this keyword is mainly for debugging purposes.

.PRINT

READ (LUCMD,*) IPRSUP

Set the print level during the construction of the supermatrix file. Read one more line containing the print level. Default is the value of IPRDEF in the **INTEGRALS input module.

.SKIP

Skip the construction of the supermatrix file. An alternative keyword is .NOSUP in the **INTEGRALS input module.

.THRESH

READ (LUCMD,*) THRSUP

Threshold for the supermatrix integrals. Read one more line containing the threshold. Default is the same as the threshold for discarding the two-electron integrals (see the chapter describing the MOLECULE input format, Ch. 23).