Liquid Si - Standard MD: Difference between revisions
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== Task == | == Task == | ||
Generating liquid Si by melting of the crystalline structure via molecular dynamics. | |||
== Input == | == Input == | ||
=== {{TAG|POSCAR}} === | === {{TAG|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 | |||
== Download == | == Download == | ||
Revision as of 11:37, 12 June 2019
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
Download
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