| Which method should be used to compute forces
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| This optional keyword expects a keyword. Default value: QS
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| valid keywords: QS: Electronic structure methods (DFT, ...)
FIST: Molecular Mechanics
KG: Kim Gordon models (DFT)
QMMM: Hybrid quantum classical
EIP: Empirical Interatomic Potential
QUICKSTEP: Electronic structure methods (DFT, ...)
KIM_GORDON: Kim Gordon models (DFT)
EP: Non-orthogonal perturbation
MIXED: Use a combination of two of the above
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| STRESS_TENSOR |
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| stress_tensor (NONE|ANALYTICAL|NUMERICAL|DIAGONAL_ANA|DIAGONAL_NUM)
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| Controls the calculation of the stress tensor. The combinations defined below are not implemented for all methods.
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| This optional keyword expects a keyword. Default value: NONE
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| valid keywords: NONE: Do not compute stress tensor
ANALYTICAL: Compute the stress tensor analytical (if available).
NUMERICAL: Compute the stress tensor numerically.
DIAGONAL_ANALYTICAL: Compute the diagonal part only of the stress tensor analytical (if available).
DIAGONAL_NUMERICAL: Compute the diagonal part only of the stress tensor numerically
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