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| EPS_DIST {Real} | |
| Threshold where molecule and image molecule have to coincide. | |
| This keyword cannot be repeated and it expects precisely one real. | |
| Default value: 1.58753163E-002 | |
| Default unit: [angstrom] |
| GW_EIGENVALUES {Real} ... | |
| List of GW eigenvalues from a previous GW calculation to be used in the optimization of the HOMO and the LUMO. The number of eigenvalues has to match CORR_MOS_OCC+CORR_MOS_VIRT for the IC calculation. Is only active if OPTIMIZE_HOMO_LUMO is true. | |
| This keyword cannot be repeated and it expects a list of reals. | |
| Default value: -2.72113839E+001 | |
| Default unit: [eV] |
| GW_EIGENVALUES_BETA {Real} ... | |
| List of beta GW eigenvalues from a previous GW calculation to be used in the optimization of the HOMO and the LUMO. The number of eigenvalues has to match CORR_MOS_OCC+CORR_MOS_VIRT for the IC calculation. Is only active if OPTIMIZE_HOMO_LUMO is true. | |
| This keyword cannot be repeated and it expects a list of reals. | |
| Default value: -2.72113839E+001 | |
| Default unit: [eV] |
| OPTIMIZE_HOMO_LUMO {Logical} | |
| If true, the image charge correction values are printed in a list, such that it can be used as input for a subsequent evGW calculation. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. | |
| Alias names for this keyword: OPTIMIZE |
| PRINT_IC_LIST {Logical} | |
| If true, the image charge correction values are printed in a list, such that it can be used as input for a subsequent evGW calculation. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
| The lone keyword behaves as a switch to .TRUE. | |
| Default value: .FALSE. |
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