Contents

• 1 Introduction
• 2 People
• 3 Installing, Compiling, and Running
  • 3.1 Installing
  • 3.2 Compiling
  • 3.3 Searching help and reporting bugs
  • 3.4 Uninstalling
  • 3.5 Running thermo_pw
  
  
• 4 Input variables
  • 4.1 Temperature and pressure
  • 4.2 Coordinates and structure
  • 4.3 what='scf'
  • 4.4 what='scf_ke'
  • 4.5 what='scf_nk'
  • 4.6 what='scf_bands'
  • 4.7 what='scf_2d_bands'
  • 4.8 what='scf_dos'
  • 4.9 what='plot_bz'
  • 4.10 what='scf_ph'
  • 4.11 what='scf_disp'
  • 4.12 what='scf_elastic_constants'
  • 4.13 what='mur_lc'
  • 4.14 what='mur_lc_bands'
  • 4.15 what='mur_lc_dos'
  • 4.16 what='mur_lc_ph'
  • 4.17 what='mur_lc_disp'
  • 4.18 what='mur_lc_elastic_constants'
  • 4.19 what='mur_lc_t'
  • 4.20 what='elastic_constants_t'
  
  
• 5 Restarting an interrupted run
• 6 Tools
• 7 Examples, inputs, pseudo_test, space_groups, tools_inputs
• 8 Color codes
• 9 Documentation
• About this document ...