USERS MANUAL
Workshops available at the McPhase homepage
mcphase.github.io/webpage/
We offer workshops with few participants online or in
a relaxed atmosphere in Venice, Italy, a city without the stress of cars.
mcphas 6.0
mcdisp 6.0
mcdiff 6.0
6.0
January 26, 2026
-
- What is New ?
- Contents
- How To ... ?
- Frequently asked Questions
- Introduction
- Getting Started ... List of Examples
- The Hamiltonian
- singleion - a Crystal Field Program
for Calculating Energy Levels, Transition Matrix Elements etc.
- mcphas - calculation of thermodynamic properties (Magnetisation, Susceptibility, Specific Heat, Neutron Diffraction, etc.)
- mcdiff - calculate and fit magnetic Neutron or Resonant Xray
Scattering
- mcdisp - the Calculation Program for Dispersive Excitations
- Including Quadrupolar and Higher Order Interactions
- Including Phonons, Electrical Polarisation and Crystal-Field Phonon interactions
- Crystal Field Phonon Interaction
- Single Ion Modules
- All about Programming External Single Ion Modules
- Basic Module Functions
- Module Functions for Observables
- External module function mcalc - used by mcdiff
and mcphas
- External module function mMcalc - used by
singleion
- External module function dm1 - used by mcdisp
- External module function Lcalc - used by mcdiff
and mcphas
- External module function LMcalc - used by
singleion
- External module function dL1 - used by mcdisp
- External module function Scalc - used by mcdiff
and mcphas
- External module function SMcalc - used by
singleion
- External module function dS1 - used by mcdisp
- External module function mqcalc - used by mcdiff
- External module functions dmq1 - used by mcdisp
- External module functions drixs1 - used by mcdisp
- External module function pcalc - used by mcdiff
and mcphas
- External module function dP1 - used by mcdisp
- External module function pelcalc - used by mcdiff
and mcphas
- External module function dpel1 - used by mcdisp
- External module function chargedensity_coeff -
used by densplt,
spins,
display_density,display_densities
- External module function dchargedensity_coeff1 - used by mcdisp
- External module function spindensity_coeff -
used by densplt,
spins,
display_density,display_densities
- External module function dspindensity_coeff1 - used by mcdisp
- External module function orbmomdensity_coeff -
used by densplt,
spins,
display_density,display_densities
- External module function dorbmomdensity_coeff1 - used by mcdisp
- External module function ro_calc -
used by chrgplt,
charges
- ic1ion - a module for intermediate coupling
- bfk - Inelastic neutron-scattering from RE ions in a crystal field
including damping effects due to the exchange interaction with conduction
electrons
- Programs for Graphical display of calculated data
- Searchspace and Simannfit - Fitting Experimental Data
- Programs for Specific Tasks in the World of McPhase
- Programs for Manipulation of Columns and Lines in Data Files
- Programs of General Interest
- Module kramer - a Kramers Ground State Doublet Single Ion Module
- Module brillouin - an Isotropic Spin Single Ion Module
- DyNi
BC - single ion module
- ErNiBC - single ion module
- Crystal Field and Parameter Conventions
- Tesseral Harmonics
- Stevens Operators
- Symmetry considerations for Crystal Field Parameters
- Transforming Crystal Field Parameters by Rotation of the Coordinate System
- Magnetic Form factors for Neutrons
- Magnetic Form factors for Neutrons- ZK coefficients for Rare Earth Ions
- Derivation of the Chargedensity Formula
- Dynamical Susceptibility and Excitations - Formalism for mcdisp
- Theory for program bfk - Inelastic neutron-scattering from RE ions in a crystal field
including damping effects due to the exchange interaction with conduction
electrons
- Solution of the exercises
- Unit Conventions in McPhase
- Installation of the program package
- References
- Index
- Shortlist of important Commands and Input Files
- About this document ...
