nudged-elastic-band

There are 0 repository under nudged-elastic-band topic.

• drinwater / Nudged-Elastic-Band-Tutorial

  A simple walkthrough and template for NEB runs on VASP.

  vasp-calculationsvaspnudged-elastic-bandvibrational-analysisphonon-calculation
  Language:Shell 10

• uthpalaherath / NEBgen

  A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.

  vaspnudged-elastic-bandminimum-energy
  Language:Python 10

• schneiderfelipe / scripts

  A collection of scripts. Mostly computational chemistry.

  bash-scriptpython-scriptintrinsic-reaction-coordinatenudged-elastic-bandorca-quantum-chemistrycomputational-chemistry
  Language:Python 7
• Nudge-Elastic-band-VASP

  Asif-Iqbal-Bhatti / Nudge-Elastic-band-VASP

  NEB technique for HEAs

  vaspscrewalloysbarrierscrew-dislocationsrelaxationnudged-elastic-band
  Language:Python 6

• yzhang951 / MD-utility

  Examples and utilities for molecular dynamics simulations

  lammps-inputmolecular-dynamicsnudged-elastic-band
  Language:C++ 4

• janknaup / comatsci

  Computational Materials Science Toolkit

  materials-sciencenudged-elastic-bandquantum-chemistrysimulation
  Language:Python 2