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• 08:04, 11 February 2025 Huebsch talk contribs created page Construction:LDMATRIX (Created page with "{{TAGDEF|LDMATRIX|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: Computes the zero-field splitting (ZFS) matrix. ---- To compute the zero-field-splitting (ZFS) tensor due to spin-spin interactions in a collinear magnetic calculation ({{TAGO|ISPIN|2}}), set: {{TAGBL|LDMATRIX}} = True # sets default {{TAGBL|LHFCALC}} = True ; {{TAGBL|AEXX}}=0.0 The ZFS arises from spin-spin interactions between unpaired electrons in a high-spin state with a total spin <math> S \ge...")