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| subroutine, public | v_ks_oct_m::v_ks_init (ks, namespace, gr, st, ions, mc, space, kpoints) |
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| subroutine | get_functional_from_pseudos (x_functional, c_functional) |
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| subroutine, public | v_ks_oct_m::v_ks_end (ks) |
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| subroutine, public | v_ks_oct_m::v_ks_write_info (ks, iunit, namespace) |
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| subroutine, public | v_ks_oct_m::v_ks_h_setup (namespace, space, gr, ions, ext_partners, st, ks, hm, calc_eigenval, calc_current) |
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| subroutine, public | v_ks_oct_m::v_ks_calc (ks, namespace, space, hm, st, ions, ext_partners, calc_eigenval, time, calc_energy, calc_current, force_semilocal) |
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| subroutine, public | v_ks_oct_m::v_ks_calc_start (ks, namespace, space, hm, st, ions, latt, ext_partners, time, calc_energy, calc_current, force_semilocal) |
| | This routine starts the calculation of the Kohn-Sham potential. The routine v_ks_calc_finish must be called to finish the calculation. The argument hm is not modified. The argument st can be modified after the function have been used. More...
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| subroutine | calculate_density () |
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| subroutine | v_a_xc (hm, force_semilocal) |
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| subroutine, public | v_ks_oct_m::v_ks_calc_finish (ks, hm, namespace, space, latt, st, ext_partners, force_semilocal) |
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| subroutine | v_ks_oct_m::v_ks_hartree (namespace, ks, space, hm, ext_partners) |
| | Hartree contribution to the KS potential. This function is designed to be used by v_ks_calc_finish and it cannot be called directly. More...
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| subroutine, public | v_ks_oct_m::v_ks_freeze_hxc (ks) |
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| subroutine, public | v_ks_oct_m::v_ks_calculate_current (this, calc_cur) |
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1.9.4