https://www.quanty.org/ 2026-04-29T09:26:46+00:00 https://www.quanty.org/ https://www.quanty.org/_media/wiki/dokuwiki.svg text/html 2025-11-20T02:30:28+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/akm_d4d_point_group?rev=1763605828&do=diff Akm D4d point group asked by Deniz Wong (2023/08/07 11:03) Hi, Does anyone know the Akm for the D4d point group? or suggest on how to determine Akm for point groups that is now available in the Quanty resource page? Thanks! Deniz text/html 2025-11-20T02:30:28+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/akm_parameters_for_d3_or_other_unusual_point_group?rev=1763605828&do=diff Akm parameters for D3 (or other unusual) point group asked by Maximilian Kusch (2023/01/30 14:46) Dear all, I am trying to implement a D3 crystal field, but the function PotentialExpandedOnClm seems not to have that. Is that possible and is there another way to extract these parameters? text/html 2025-11-20T02:30:27+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/cpes_ligand_field?rev=1763605827&do=diff cPES & ligand field asked by Francesco Borgatti (2023/09/05 15:21) Dear Quanty developers, I kindly ask for indications on setting up core-level photoemission calculations. In the example file about 2p core-level photoemission from NiO including ligand field effects, the energy balance for the final states is reported as : $2p$$d$$d$$2p^5 L^{10} d^n$$2p^5 L^9 d^{n+1}$ text/html 2025-11-20T02:30:29+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/difinition_of_e2_0_for_rixs_l23m1?rev=1763605829&do=diff Difinition of E2=0 for RIXS_L23M1 asked by Saki IMADA (2023/07/27 10:19) Dear developers, I’d like to ask you the definition of E2=0 for L23M1 RIXS. I’ve been trying to calculate RIXS L23M1 spectra to understand my experimental spectra of various 3d transition metals in Td symmetry (3d-TMs in semiconductors). I understand E2 for L23M45 RIXS, simple energy shift, thus I see elastic signals for L23M45 RIXS at E2=0. text/html 2025-11-20T02:30:27+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/directional_x-ray_spectroscopy_potential_bug?rev=1763605827&do=diff Directional X-ray Spectroscopy, Potential Bug asked by Charles Cardot (2023/04/07 23:56) Hello, I have been experimenting with calculating direction dependent x-ray emission using Quanty and the DFT+MLFT framework. However, I seem to be running into an issue with the mean field operators calculated from the Tight Binding (TB) object. text/html 2025-11-20T02:30:28+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/energy_level_diagram_for_d3_system_in_crcl3_using_ligand_field_theory?rev=1763605828&do=diff Energy level diagram for d3 system in CrCl3 using ligand field theory asked by Chamini Shammi Pathiraja (2023/01/22 04:20) I have been trying to plot the energy level diagram for d3 in CrCl3 using ligand field theory. When I use the crystal field, since the Npsi is 120, it gives me the outcome without any error. But d3 ligand filed energy level diagram quanty script doesn't run properly. text/html 2025-11-20T02:30:28+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/has_quanty_managed_to_symmetrize_the_resulting_wavefunction_w.r.t_symmetry_of_the_input_problem?rev=1763605828&do=diff has Quanty managed to symmetrize the resulting wavefunction w.r.t symmetry of the input problem? asked by John Lee (2023/11/09 21:27) For example, I have the following Hamiltonian containing kinetic operator only on a single site with 7 orbits occupied with 10 electrons in a spin unpolarized state. text/html 2025-11-20T02:30:28+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.quanty.org/forum/data/2023/victor_z?rev=1763605828&do=diff Victor Z asked by Victor (2023/12/25 09:17) Hi. I downloaded Quanty 2016 for windows 10 in order to be used with CTM4XAS. It doesn't seem to work, newer version also didn't work