AMP² Manual

Contents:

• Installation and execution
  • Installation AMP²
    • System requirements
    • Installation
  • Essential setting
    • Setting of configuration file
  • Execution AMP²
• Overview
  • Preparing input files
  • Running AMP²
  • Outputs
  • List of source codes
• Input
  • Input files
    • Structure file
    • Configuration
  • Configuration
    • Directory
    • Program
    • Calculation
    • Vasp_parallel
    • cif2vasp
    • Hybrid_oneshot
    • Effective_mass
  • Advanced configuration
    • To get more accurate band gap
    • Organic crystal
• Output
  • Output files
    • INPUT0
    • kptest
    • encut
    • relax_POT (POT = GGA or LDA)
    • magnetic_ordering
    • band_POT (POT = GGA or LDA)
    • dos_POT (POT = GGA or LDA)
    • dielectric_POT (POT = GGA or LDA)
    • hybrid_POT1_POT2 (POT = GGA or LDA)
    • effm_POT (POT = GGA or LDA)
    • Results
    • INPUT0_old
    • relax_POT_old (POT = GGA or LDA)
    • name_with_U
• Examples
  • Introduction
  • Execute AMP²
  • Calculation results
    • Si
    • Ge
    • NiO
• Test
  • Test_list