Miscellaneous

Topics

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[1] joining coord files

[2] NEB job

[3] How to do a NEB calculation

[4] How to use HAGA for optimization?

[5] Really deep SCF energies DFT (with dscf)

[6] Keywords for density matrix, fock matrix

[7] orbital shift or V shift calculation using turbomole

[8] Proper cuts off (spin) density (in cube files)

[9] Heavy elements and relativistic effects

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