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• 14:15, 21 March 2025 Csheldon talk contribs created page Construction:LNMRSHIELD (Created page with "{{DISPLAYTITLE:LNMRSHIELD}} {{TAGDEF|LNMRSHIELD|.TRUE.{{!}} .FALSE.}} {{DEF|LNMRSHIELD|.TRUE.|}} Description: {{TAG|LNMRSHIELD}} controls whether the shielding or shift is printed. ---- {{not released}} The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG|LNMRSHIELD}} = .TRUE.) in the {{FILE|OUTCAR}} file. When {{TAG|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> (<math>\delta_{i,j} = -\sigma_{ij}</math>) is print...")