========== Appendix B ========== GNCPP ===== .. warning:: This page is under construction STATE uses genelized normconserving pseudopotentials (GNCPPs), which are normconserving (NC), ultrasoft (US), or mixed normconserving/ultrasoft (NC/US) pseudopotentials. GNCPPs have been generated using an in-house code developed by Yoshitada Morikawa. Note that the mixed NC/US scheme in GNCPP is independent and was used before the publication by Stokbro [Phys. Rev. B 53, 6869 (1996)]. Periodic table -------------- +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | H | | | | | | | | | | | | | | | | | He | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | Li | Be | | | | | | | | | | | B | C | N | O | F | Ne | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | Na | Mg | | | | | | | | | | | Al | Si | P | S | Cl | Ar | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | K | Ca | Sc | Ti | V | Cr | Mn | Fe | Co | Ni | Cu | Zn | Ga | Ge | As | Se | Br | Kr | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | Rb | Sr | Y | Zr | Nb | Mo | Tc | Ru | Rh | Pd | Ag | Cd | In | Sn | Sb | Te | I | Xe | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ | Cs | Ba | La | Hf | Ta | W | Re | Os | Ir | Pt | Au | Hg | Tl | Pb | Bi | Po | At | Rn | +----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+----+ List of GNCPPs -------------- Below, a list of the pseudopotentials is given (as of April 7th 2022) with the type and target cutoff wave vectors (GMAX and GMAXP) for the wave functions and augmented charge. It is safe to use slightly larger cutoff wave vectors than those listed below. The list is tentative and shoul be polished (obsolete ones or those exhibiting ghotst states can be included), and the list itself as well as the pseudopotentials must be updated with more information (and may be with new naming convention). +---------------+-------+-----+------+-------------+--------------+ | Potential | Type | PCC | lmax | target GMAX | target GMAXP | +===============+=======+=====+======+=============+==============+ | H_lda1 | US/NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | H_lda1TM | NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | H_lda3 | US/NC | No | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | H_lda4 | US/NC | No | 2 | 4.4 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | H_lda5 | US/NC | No | 2 | 3.9 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | H_lda6TM | NC | No | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | H_lda7TM | NC | No | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | H_pbe1 | US/NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | H_pbe1TM | NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | He_lda1TM | NC | No | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Li_lda1TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Li_pbe1TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Be_pbe1TM | NC | No | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | B_lda3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | B_pbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | B_rpbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | C_lda1 | US/NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_lda2_TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_lda3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe1 | US/NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe1_1sHole | US/NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe2_TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe4 | US/NC | Yes | 2 | 4.4 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe6TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe7TM | NC | No | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pbe8TM | NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_pw3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | C_rpbe1 | US/NC | Yes | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | C_rpbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | N_lda3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | N_pbe1 | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | N_pbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | N_pbe4_TM | NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | N_pbe5_TM | NC | Yes | 2 | 5.3 | 50.0 | +---------------+-------+-----+------+-------------+--------------+ | N_rpbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | O_lda2_TM | NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_lda3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe1 | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe1_1sHole | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe1_Test | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe2_TM | NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe6TM | NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_pbe7TM | NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_revpbe1 | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_revpbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | O_rpbe1 | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | O_rpbe3 | US/NC | Yes | 2 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | F_lda3 | US/NC | No | 2 | 4.9 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | F_pbe1 | US/NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | F_pbe2 | US/NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | F_pbe3 | US/NC | No | 2 | 4.9 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | F_pbe4TM | NC | Yes | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ne_pbe1TM | NC | No | 2 | 5.3 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Na_lda1 | US/NC | Yes | 2 | 3.6 | 9.5 | +---------------+-------+-----+------+-------------+--------------+ | Na_pbe1 | US/NC | Yes | 2 | 3.6 | 9.5 | +---------------+-------+-----+------+-------------+--------------+ | Na_pbe2 | NC | Yes | 2 | 3.6 | 9.5 | +---------------+-------+-----+------+-------------+--------------+ | Mg_pbe1 | US/NC | Yes | 2 | 4.8 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Mg_pbe2 | NC | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Al_pbe1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Al_pbe2 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_lda1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_lda1_pcc | NC | Yes | 2 | 2.8 | 16.0 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe1_h1s | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe1_h2p | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe1_pcc | NC | Yes | 2 | 2.8 | 16.0 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe2 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Si_pbe3 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | P_lda1 | NC | Yes | 2 | 2.8 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | P_pbe1 | NC | Yes | 2 | 2.8 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | S_lda1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | S_pbe1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | S_pbe1_h1s | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | S_pbe1_h2p | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | S_pbe1_pcc | NC | Yes | 2 | 2.8 | 16.0 | +---------------+-------+-----+------+-------------+--------------+ | Cl_pbe1 | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Ar_pbe1TM | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Ar_revpbe1TM | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | Ar_rpbe1TM | NC | No | 2 | 2.8 | 6.7 | +---------------+-------+-----+------+-------------+--------------+ | K_lda1 | NC | No | 2 | 4.5 | 9.0 | +---------------+-------+-----+------+-------------+--------------+ | K_pbe1 | NC | No | 2 | 4.5 | 9.0 | +---------------+-------+-----+------+-------------+--------------+ | Ca_pbe1 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ca_pbe2 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ti_pbe1 | US/NC | Yes | 2 | 4.6 | 17.0 | +---------------+-------+-----+------+-------------+--------------+ | Ti_pbe3 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ti_pbe4 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ti_pbe5 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ti_pbe6TM | NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Mn_pbe3 | US | Yes | 2 | 4.4 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Fe_pbe3 | US | Yes | 2 | 4.2 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Co_pbe3 | US | Yes | 2 | 4.2 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_lda4 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_lda6_TM | NC | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe2 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe3 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe4 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe5 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe7_TM | NC | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_pbe8 | US | Yes | 2 | 4.4 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ni_rpbe4 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_4s_pbe3 | US/NC | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_4s_pbe4 | US | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_lda3 | US | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_pbe1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_pbe3 | US | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_pbe6TM | NC | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_pw1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_pw3 | US | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_revpbe1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_rpbe1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Cu_rpbe3 | US | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Zn_pbe1 | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Zn_pbe2 | US | Yes | 2 | 4.8 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Zn_pbe3 | US | Yes | 2 | 4.8 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Zn_pbe3_1 | US | Yes | 2 | 4.7 | 19.0 | +---------------+-------+-----+------+-------------+--------------+ | Ga_pbe1 | NC | Yes | 2 | 4.3 | 9.8 | +---------------+-------+-----+------+-------------+--------------+ | Ge_lda1 | NC | Yes | 2 | 4.3 | 9.8 | +---------------+-------+-----+------+-------------+--------------+ | Ge_pbe1 | NC | Yes | 2 | 4.3 | 9.8 | +---------------+-------+-----+------+-------------+--------------+ | As_pbe1 | NC | Yes | 2 | 4.3 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Se_pbe1 | NC | Yes | 2 | 4.3 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Br_pbe1 | NC | Yes | 2 | 4.3 | 9.8 | +---------------+-------+-----+------+-------------+--------------+ | Sr_pbe1 | US/NC | Yes | 2 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Zr_pbe1 | US/NC | Yes | 3 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe1 | US/NC | Yes | 3 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe2 | US/NC | Yes | 3 | 4.9 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe3 | US/NC | Yes | 3 | 4.9 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe4 | US/NC | Yes | 3 | 4.9 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe5 | US/NC | Yes | 3 | 4.9 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe6 | US/NC | Yes | 3 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Nb_pbe7 | NC | Yes | 3 | 4.8 | 13.5 | +---------------+-------+-----+------+-------------+--------------+ | Mo_lda1 | US/NC | Yes | 2 | 4.6 | 17.0 | +---------------+-------+-----+------+-------------+--------------+ | Mo_pbe1 | US/NC | Yes | 2 | 4.6 | 17.0 | +---------------+-------+-----+------+-------------+--------------+ | Mo_pbe2 | US/NC | Yes | 2 | 4.1 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Mo_pbe3 | US/NC | Yes | 3 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe1 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe2 | US/NC | Yes | 2 | 4.4 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe3 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe4 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe5 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ru_pbe6 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Rh_lda1 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Rh_pbe1 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Rh_revpbe1 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Rh_rpbe1 | US/NC | Yes | 2 | 4.3 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Pd_pbe1 | US/NC | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Pd_pbe2_4p | US | Yes | 2 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Pd_pbe3_4p | US | Yes | 2 | 4.4 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Pd_pbe4 | US/NC | Yes | 2 | 4.4 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Pd_rpbe4 | US/NC | Yes | 2 | 4.4 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Ag_lda3TM | NC | Yes | 2 | 4.3 | 17.0 | +---------------+-------+-----+------+-------------+--------------+ | Ag_pbe1 | US/NC | Yes | 2 | 4.3 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Ag_pbe2 | NC | No | 2 | 5.0 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Ag_pbe3TM | NC | Yes | 2 | 4.3 | 17.0 | +---------------+-------+-----+------+-------------+--------------+ | In_pbe1 | US/NC | Yes | 2 | 4.3 | 16.0 | +---------------+-------+-----+------+-------------+--------------+ | In_pbe2 | US/NC | Yes | 2 | 4.3 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Te_pbe1 | US/NC | Yes | 3 | 4.8 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | I_pbe1 | US/NC | Yes | 3 | 4.8 | 14.0 | +---------------+-------+-----+------+-------------+--------------+ | Ba_pbe3 | NC | Yes | 2 | 4.6 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Hf_pbe2 | US/NC | Yes | 3 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ta_pbe1 | NC | Yes | 3 | 4.0 | 9.0 | +---------------+-------+-----+------+-------------+--------------+ | Ta_pbe2 | US/NC | Yes | 3 | 4.6 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | W_pbe1 | NC | Yes | 3 | 4.0 | 9.0 | +---------------+-------+-----+------+-------------+--------------+ | Re_pbe1 | NC | Yes | 3 | 4.0 | 9.0 | +---------------+-------+-----+------+-------------+--------------+ | Os_pbe1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Ir_pbe1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Pt_lda1s | US/NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Pt_pbe1 | US/NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Pt_pbe1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Pt_rpbe1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_lda1 | US/NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_lda1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe1 | US/NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe1s | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe2_TM | NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe3 | US/NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe4 | US/NC | Yes | 3 | 4.3 | 12.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe6TM | NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe7TM | NC | No | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Au_pbe8TM | NC | Yes | 3 | 4.9 | 18.0 | +---------------+-------+-----+------+-------------+--------------+ | Pb_pbe1 | NC | Yes | 2 | 3.2 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | Bi_pbe1 | NC | Yes | 2 | 3.2 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | La_pbe1 | US/NC | Yes | 3 | 4.9 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | La_pbe2 | US/NC | Yes | 3 | 4.8 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | La_pbe3 | US/NC | Yes | 3 | 4.8 | 13.0 | +---------------+-------+-----+------+-------------+--------------+ | La_pbe4 | US/NC | Yes | 3 | 4.8 | 13.0 | +---------------+-------+-----+------+-------------+--------------+