| Convergence criterium for the davidson algorithm. Specifies the maximal value of the norm of the residuum vectors
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| This optional keyword expects a real. Default value: 1.9999999999999999E-06
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INITIAL_GUESS |
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| INITIAL_GUESS BFGS_HESS
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| The type of initial guess for the normal modes
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| This optional keyword expects a keyword. Default value: ATOMIC
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| valid keywords: BFGS_HESS : get the first displacement vector out of the BFGS approximate Hessian
ATOMIC : use random displacements for a set of atoms specified
RESTART : use data from MS_RESTART as initial guess
RESTART_VEC : use a vector from MS_RESTART, useful if you want to increase accurcy by changing functionals or basis
MOLDEN_RESTART : use the .mol file of a former run, to restart a vector(similar to Restart_vec, but a different file FORMAT is used)
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RESTART_FILE_NAME |
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| RESTART_FILE_NAME {filename}
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| Specifies the name of the file used to create the restarted vectors
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| This optional keyword expects a string. Default value:
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