screw-dislocations

There are 2 repositories under screw-dislocations topic.

• High-Entropy-Alloys

  Asif-Iqbal-Bhatti / High-Entropy-Alloys

  Generate random alloys and compute various properties

  gsfematerials-sciencebcc-crystalsqsmcsqsvaspscrew-dislocationsmonte-carlo-simulationmachine-learningmaterials-discoverypythonrandom-alloysp4vasp
  Language:Python 38
• Nudge-Elastic-band-VASP

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

  NEB technique for HEAs

  vaspscrewalloysbarrierscrew-dislocationsrelaxationnudged-elastic-band
  Language:Python 6