Ridft, Rdgrad, Dscf, Grad
Topics
[1] Manualy define DFT-D4 ($disp4) parameters
[2] D4 - Edisp /kcal,au: NaN NaN
[3] Obtain exchange energy from DFT calculation
[4] Localized Hartree-Fock / Localized DFT?
[5] DFT-D4 energy for charged systems
[6] Segmentation Faults Using COSMO
[7] Post-HF metal cluster calculations - issues with lastdiag
[8] PEECM calculation with ECP shells in Turbomole 7.5
[9] PEECM IS NOT WORKING - UNIT CELL IS NOT CHARGE NEUTRAL
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