Symmetries

Keyword: SIMPLEXY
1 = ISIMPY

Calculation with $y$-simplex conserved (see Sec. 2.2) will be performed for ISIMPY=1, while the simplex will be broken for ISIMPY=0. Value of ISIMPY must be consistent with switches IPARTY, ISIGNY, ISIMTY, and IROTAT, see Tables 1 and 2.

Keyword: PARITY
$-$1 = IPARTY

Calculation with parity conserved (see Sec. 2.2) will be performed for IPARTY=1, while the parity will be broken for IPARTY=0. Value of IPARTY must be consistent with switches ISIMPY and ISIGNY, see Table 1. For IPARTY=$-$1 (the compatibility mode), the code sets IPARTY=ISIGNY and requires that ISIMPY=1

Keyword: TIMEREVERS
0 = ITIREV

Calculation with time-reversal conserved (see Sec. 2.2) will be performed for ITIREV=1, while this symmetry will be broken for ITIREV=0. This switch is used only as a convenient replacement of switch IROTAT; ITIREV=1 is equivalent to IROTAT=0 and ITIREV=0 is equivalent to IROTAT=1, cf. Sec. II-3.3.

Keyword: TSIMPLEX_Y
$-$1 = ISIMTY

Calculation with $y$-simplex$^T$ conserved (see Sec. 2.2) will be performed for ISIMTY=1, while this symmetry will be broken for ISIMTY=0. Value of ISIMTY must be consistent with switches ISIMPY and IROTAT, see Table 2. For ISIMTY=$-$1 (the compatibility mode), the code sets ISIMTY to 1-IROTAT and requires that ISIMPY=1.

Keyword: TSIMPLEX3D
1, $-$1, 1 = ISIMTX,ISIMTY,ISIMTZ

This keyword allows to simultaneously input all the three switches that define the three $T$-simplexes. It is equivalent to using keywords TSIMPLEXES (Sec. II-3.3) and TSIMPLEX_Y together. Values of ISIMTX and ISIMTZ must be consistent with switch ISIGNY, see Table 3.

Keyword: HFB
0 = IPAHFB

Calculation with pairing correlations included by solving the HFB equation (see Sec. 2.5) will be performed for IPAHFB=1. IPAHFB=1 requires IPAIRI=1, see Sec. II-3.3. IPAHFB=1 also requires ISIMPY=1, i.e., for broken simplex symmetry, solution of the HFB equation is not yet implemented.