📦 wannier90

6 pages

P

  • postw90.x(1)compute properties of Wannier functions The information on the calculated Wannier functions is read from the checkpoint seedname.chk file.✨

W

  • w90chk2chk.x(1)convert wannier90.x checkpoint file between machine- dependent and machine-independent formats✨
  • w90pov(1)create PovRay input files to visualise Wannier functions✨
  • w90spn2spn.x(1)convert wannier90.x spin file between machine-dependent and machine-independent formats✨
  • w90vdw.x(1)calculate van der Waals energies based on the idea of density decomposition via maximally-localised Wannier functions✨
  • wannier90.x(1)compute maximally-localised Wannier functions✨