_SECTION_PARAMETERS_ |
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| &SPINSPIN T
|
| controls the activation of the nmr calculation
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
RESTART_SPINSPIN |
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| RESTART_SPINSPIN
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| Restart the spin-spin calculation from a previous run (NOT WORKING YET)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
ISSC_ON_ATOM_LIST |
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| ISSC_ON_ATOM_LIST 1 2 10
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| Atoms for which the issc is computed.
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| This optional keyword expects a list of integers, and may repeat |
DO_FC |
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| DO_FC F
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| Compute the Fermi contact contribution
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: T
|
DO_SD |
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| DO_SD F
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| Compute the spin-dipolar contribution
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: T
|
DO_PSO |
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| DO_PSO F
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| Compute the paramagnetic spin-orbit contribution
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: T
|
DO_DSO |
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| DO_DSO F
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| Compute the diamagnetic spin-orbit contribution (NOT YET IMPLEMENTED)
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: T
|