Liquid Si - Standard MD

Overview >Liquid Si - Standard MD > Liquid Si - Freezing > Nucleophile Substitution CH3Cl - Standard MD > Nuclephile Substitution CH3Cl - mMD1 > Nuclephile Substitution CH3Cl - mMD2 > Nuclephile Substitution CH3Cl - mMD3 > Nuclephile Substitution CH3Cl - SG > Nuclephile Substitution CH3Cl - BM > List of tutorials

Task

Generating liquid Si by melting of the crystalline structure via molecular dynamics.

Input

POSCAR

• Primitive Cell:

Si cubic diamond primitive cell
  5.43100000000000
 0.0000000000000000 0.5000000000000000 0.5000000000000000
 0.5000000000000000 0.0000000000000000 0.5000000000000000
 0.5000000000000000 0.5000000000000000 0.0000000000000000
  Si
  2
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.7500000000000000  0.7500000000000000  0.7500000000000000

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Overview >Liquid Si - Standard MD > Liquid Si - Freezing > Nucleophile Substitution CH3Cl - Standard MD > Nuclephile Substitution CH3Cl - mMD1 > Nuclephile Substitution CH3Cl - mMD2 > Nuclephile Substitution CH3Cl - mMD3 > Nuclephile Substitution CH3Cl - SG > Nuclephile Substitution CH3Cl - BM > List of tutorials