Issues

• CirculantCore P0–P1 spike: plane-wave Green's-function machinery (host G0 + contour density)

  wladerer/gradwave#258 · Filter by author wladerer opened on Aug 7, 2026

• SoftModeDeflate P0–P2: deflated soft-mode acceleration for the near-critical response solve

  wladerer/gradwave#257 · Filter by author wladerer opened on Aug 7, 2026

• Capability-gate sweep: nspin=2 stress, PAW stress, USPP response (umbrella)

  wladerer/gradwave#147 · Filter by author wladerer opened on Jul 27, 2026
  1

• Electrostatics for slabs and charged cells: dipole correction, E-field, charge corrections

  wladerer/gradwave#145 · Filter by author wladerer opened on Jul 27, 2026

• Distributed execution: k-point parallelism across devices/nodes

  wladerer/gradwave#144 · Filter by author wladerer opened on Jul 27, 2026
  2

• Pseudopotential library compatibility: nqf>0 augmentation refit + UPF v1

  wladerer/gradwave#143 · Filter by author wladerer opened on Jul 27, 2026

• Fully-relativistic PAW/USPP: SOC beyond norm-conserving pseudos

  wladerer/gradwave#142 · Filter by author wladerer opened on Jul 27, 2026

• Linear-response properties via AD: phonons, dielectric, Born charges (DFPT parity)

  wladerer/gradwave#141 · Filter by author wladerer opened on Jul 27, 2026
  2

• One-center batching key must include per-site parameters when DFT+U / per-atom treatments land

  wladerer/gradwave#130 · Filter by author wladerer opened on Jul 26, 2026

• Quantitative COHP: contracted-STO local basis for LOBSTER-comparable ICOHP

  wladerer/gradwave#17 · Filter by author wladerer opened on Jul 22, 2026
  2