Contents

• About ADPACK
• Installation
  • Including library
  • Installing
  
  
• Test calculation
• Input file
• All electron calculation
• Generation of pseudopotential
  • Example
  • Cutoff radius
  • Pseudopotentials for unbound states
  • Separable form
  • How the MBK scheme is different from the others
  • Logarithmic derivative of wave function
  • Ghost states
  • Partial core correction
  • Restart
  
  
• Relativistic calculation
  • All electron calculation
  • Enhancement or depletion of a spin-orbit coupling
  
  
• Generation of pseudo-atomic orbitals
• Virtual atom with fractional nuclear charge
• Finite element method (FEM) calculation
• Output files
• Templates of the input files
• Database of optimized VPS and PAO
• Others
• Bibliography