File formats and RMC theory

The detailed reference materials are collected here.

• What Is the RMC Method?
  • Agreement with Experimental Data
  • Acceptance and Rejection of Atomic Moves
  • Role of Standard Deviations
  • References
• RMC_POT cfg File Format
  • Example: Excerpt from aaa.cfg
  • Explanation of Each Section (in File Order)
  • Practical Notes / Checklist
• RMCPOT Input File Reference
• cfg file
• sq file
• dat file
  • Additional notes and cautions
• RMC_POT Output Files: Format and Interpretation
  • General notes
  • .fit: Fit to the structure factor S(Q)
  • .hst: Chi-squared history and fit progress
  • Partial pair-correlation functions gᵢⱼ(r)
  • Atomic configurations and three-dimensional visualization

For authoritative syntax and keyword definitions, see Chapter II of Orsolya Gereben, RMC_POT user guide for version 2023.1.