| This keywords enables the logger for the print_key (a message is printed on screen everytime data, controlled by this print_key, are written)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
__CONTROL_VAL |
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|
|
| hidden parameter that controls storage, printing,... of the print_key
|
| This optional keyword expects an integer. Default value: 8
|
UNIT |
|
| UNIT angstrom
|
| Specify the unit of measurement for the quantity in output. All available CP2K units can be used.
|
| This optional keyword expects a word. Default value: angstrom
|
SAB_ORB |
|
|
|
| Activates the printing of the orbital orbital neighbor lists, i.e. the overlap neighbor lists
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_AUX_FIT |
|
|
|
| Activates the printing of the orbital orbital neighbor lists wavefunction fitting basis, i.e. the overlap neighbor lists
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_AUX_FIT_VS_ORB |
|
|
|
| Activates the printing of the orbital orbital mixed neighbor lists of wavefunction fitting basis, and the orbital basis, i.e. the overlap neighbor lists
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_SCP |
|
|
|
| Activates the printing of the scp neighbor lists, i.e. the dispersion neighbor lists
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_VDW |
|
|
|
| Activates the printing of the vdW neighbor lists, i.e. the dispersion neighbor lists
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAC_AE |
|
|
|
| Activates the printing of the orbital nuclear attraction neighbor lists (erfc potential)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAC_PPL |
|
|
|
| Activates the printing of the orbital GTH-PPL neighbor lists (local part of the Goedecker-Teter-Hutter pseudo potentials)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAP_PPNL |
|
|
|
| Activates the printing of the orbital GTH-PPNL neighbor lists (non-local part of theGoedecker-Teter-Hutter pseudo potentials)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAP_OCE |
|
|
|
| Activates the printing of the orbital PAW-projector neighbor lists (only GAPW)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_2C |
|
|
|
| Activates the printing of the two-center orbital V(Hartree_local) neighbor lists (only GAPW)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAB_LRC |
|
|
|
| Activates the printing of the long-range SE correction neighbor lists (only when doing long-range SE with integral scheme KDSO and KDSO-d)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SAC_3C |
|
|
|
| Activates the printing of the three-center orbital(a) V(Hartree_local) neighbor lists (only GAPW)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
SBC_3C |
|
|
|
| Activates the printing of the three-center orbital(b) V(Hartree_local) neighbor lists (only GAPW)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|