Documentation Index

code

• The Atomic Spheres Approximation
• Implementation of Dynamical Mean Field Theory
• Full Potential LMTO Capabilities
• Full Potential Overview
• The RPA and RPA+BSE Dielectric functions
• Including ladder diagrams in W
• Implementation of the GW Approximation
• The ASA Crystal Green's function program lmgf
• The ASA layer Green's function program lmpg
• The empirical tight-binding code tbe
• User's guide for GW code, lmgw.sh

  An introduction to lmgw.sh

uncategorised

• Frequently Asked Questions and Error Messages
• The Questaal Suite
• Troubleshooting

input

• Command Line switches
• Questaal Data files and their Formats
• The GWinput file
• The blm utility and the init file
• The Input File (CTRL)
• Syntax of the Input File
• The File Preprocessor
• Specifying Lattice and Site Information
• Symmetry Line Files

misc

• The ccomp processor
• The fplot utility
• Fitting energies to classical model Hamiltonians
• The supercell and superlattice maker lmscell
• The mcx matrix calculator
• The polynomial fitting program pfit
• The plbnds utility
• The pldos utility
• The rdfile and rdcmd utilities

numerics

• Brillouin zone integration
• Syntax of integer lists
• Jigsaw Puzzle Orbitals
• On Rotations
• Self-consistency
• Smooth Hankel Functions
• Spherical Harmonics
• Spin and Spin Orbit Coupling

outputs

• Annotated GW output

  Output from lmgw, mostly for 1-shot GW calculations.

• Annotated standard output, program lmf

  The standard output from the PbTe tutorial is annotated.

• Annotated standard output, program lmfa

  The standard output from lmfa for the PbTe tutorial is annotated

• Annotated standard output, program lmfg

properties

• Optics Documentation