group,branch,guide,cases,workflow,scope_limit
vasp-11,Independent-particle optics,/docs/vasp-optical-spectra/,si-optics,SCF -> uniform k mesh -> empty bands + LOPTICS -> complex dielectric tensor,No phonon-assisted indirect absorption
vasp-11,GW/BSE,/docs/vasp-gw-bse/,si-manybody-scf;si-manybody-exact;si-gw-16qp;bse-16qp-cpu-20261025,SCF -> Exact/WAVEDER -> GW -> matching BSE,QP gap differs from optical excitation; coarse teaching mesh
vasp-11,TDDFT Casida,/docs/vasp-tddft-casida/,si-pbe-casida,same SCF/empty-band basis -> Casida response,"Restricted response space, not all excited states"
vasp-11,Time propagation,/docs/vasp-time-propagation-optics/,si-pbe-timeev,same basis -> TIMEEV -> Fourier response,"Linear-response propagation, not arbitrary laser carrier dynamics"
vasp-11,Constrained Delta-SCF,/docs/vasp-molecular-dscf/,co-singlet-opt;co-triplet-opt;co-triplet-at-singlet;co-singlet-at-triplet;co-singlet-frequency;co-triplet-frequency,two constrained spin states at two geometries -> vertical/adiabatic energy,"Spin-constrained CO model, no radiative intensity or lifetime"
vasp-11,Initial-state XPS,/docs/vasp-xps-core-shifts/,ethanol-relax;ethanol-core-initial,neutral optimized molecule -> initial core levels -> relative same-element shift,"Relative initial-state shift, not absolute screened binding energy"
vasp-11,XANES core hole,/docs/vasp-xanes-core-hole/,diamond-xch-96;diamond-xch-160,separate absorbing site -> core-hole calculation -> broaden spectrum,"16atom cell, empty-band check not supercell convergence"
vasp-17,Wannier interface,/docs/vasp-wannier-interpolation/,si-wannier-valence;si-wannier-band-check,DFT -> amn/mmn/eig -> Wannier -> direct band comparison,Check energy window and gauge before observables
vasp-17,BoltzTraP2,/docs/vasp-electronic-transport/,si-primitive-scf,uniform DFT mesh -> interpolation -> transport tensors,Conductivity depends on scattering time
vasp-17,AMSET,/docs/vasp-amset-mobility/,si-bulk;si-def-01;si-def-02;si-def-03,DFT overlaps + deformation potential + material inputs -> scattering mobility,Existing example uses ADP scattering only
vasp-17,Ordinary Hall,/docs/vasp-hall-coefficient/,si-primitive-scf,BoltzTraP2 tensors -> ordinary Hall coefficient,No anomalous Hall or magnetoresistance inference
vasp-17,Berry/Wilson,/docs/vasp-berry-wilson-loops/,si-wannier-valence,occupied overlaps -> closed loop -> unitary Wilson phases,Not by itself a Z2 or Chern classification
vasp-17,Finite surface model,/docs/vasp-wannier-surface/,si-sp3;si-band-check,Wannier HR -> finite slab -> boundary weights,"Finite model weights, not reconstructed surface or demonstrated topology"
vasp-17,NEGF external model,/docs/vasp-negf-chain/,na-chain;na-band-check,DFT -> Wannier -> lead/device Green functions -> transmission -> Landauer current,"Fixed Hamiltonian barrier model, not self-consistent biased DFT device"