Go to the source code of this file.
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module | qs_linres_polar_utils |
| Polarizability calculation by dfpt Initialization of the polar_env, Perturbation Hamiltonian by application of the Berry phase operator to psi0 Write output Deallocate everything periodic Raman SL February 2013.
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subroutine, public | qs_linres_polar_utils::polar_env_init (qs_env) |
| Initialize the polar environment. More...
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subroutine, public | qs_linres_polar_utils::polar_polar (qs_env) |
| ... More...
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subroutine, public | qs_linres_polar_utils::polar_print (qs_env) |
| Print information related to the polarisability tensor. More...
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subroutine, public | qs_linres_polar_utils::polar_response (p_env, qs_env) |
| Calculate the polarisability tensor using response theory. More...
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subroutine, public | qs_linres_polar_utils::write_polarisability_tensor (force_env, motion_section, itimes, time, pos, act) |
| Prints the polarisability tensor to a file during MD runs. More...
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