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| CHECK_MOS_CONV {Logical} | |
| This requires to check the convergence of MOS also when standard diagonalization steps are performed, if the block krylov approach is active. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
| EPS_KRYLOV {Real} | |
| Convergence criterion for the MOs | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.00000000E-07 |
| EPS_STD_DIAG {Real} | |
| Level of convergence to be reached before starting the Lanczos procedure. Above this threshold a standard diagonalization method is used. If negative Lanczos is started at the first iteration | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: -1.00000000E+00 |
| NBLOCK {Integer} | |
| Size of the block of vectors refined simultaneously by the Lanczos procedure | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 32 |
| NKRYLOV {Integer} | |
| Dimension of the Krylov space used for the Lanczos refinement | |
| This keyword cannot be repeated and it expects precisely one integer. | |
| Default value: 4 |
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