VB workshop tutorials program

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Instructors

  • Benoît Braida
  • Zhenhua Chen
  • Xun Chen
  • David Danovich
  • Stéphane Humbel (coordinator)
  • Mathieu Linares
  • Yirong Mo
  • Avital Shurki
  • Peifeng Su
  • Wei Wu
  • Fuming Ying

Usefull programs

[| MacMolPlt] will be installed on the cluster. It shall be used to build graphically Gamess input.

xmpo can help to convert .orb files to more handy .bro (back and forth)

xmpg can help to convert Gamess output to XMVB files (.bfi, .xmi, .bro) (and XMVB file to Gamess files for orbitals)


Program of the tutorials (PROPOSAL)

Here are Sason remarks

They are accessible from your tutorials

Tutorial n°1 (Monday p.m) : XMVB program (W. Wu's Group + PC Hiberty )

Tutorial n°2 (Tuesday p.m): VB applications (A. Shurki + D. Danovitch)

Tutorial n°3 (Wednesday p.m): VB vs BDO (Lewis structures) BLW & HuLiS (S. Humbel + M. Linares + Y. Mo )

Tutorial n°4 (Friday p.m): State correlation diagrams ( W. Wu's Group)

Récupérée de « https://wiki.lct.jussieu.fr/workshop/index.php?title=VB_workshop_tutorials_program&oldid=3479 »