Index

acoscol

Programs for Manipulation of

add

Programs for Manipulation of

addcol

Programs for Manipulation of

addj

mcphas.j - lattice and | Programs for Specific Tasks

asincol

Programs for Manipulation of

atancol

Programs for Manipulation of

beep

Programs of General Interest | Programs of General Interest

brillouin

Getting Started ...

cfield

Getting Started ... | Getting Started ... | no title | Using so1ion (Cfield) separately | Setting up mcphas.j and | Setting up mcphas.j and | Setting up mcphas.j and

charges

no title | External module function ro_calc

chi2

Telling the fitting program, | Telling the fitting program, | Programs for Manipulation of

chrgplt

Using so1ion (Cfield) separately | Using so1ion (Cfield) separately | Using so1ion (Cfield) separately | no title | External module function ro_calc

cluster

Getting Started ... | Getting Started ... | Single Ion Modules

convolute

Example - how to | Example - how to | Example - how to | How to generate and | How to generate and | How to generate and | How to generate and | How to generate and | How to generate and | Program hkl, hkl2d and | Program hkl, hkl2d and | Programs for Manipulation of

convolute2d

Programs for Manipulation of

coscol

Programs for Manipulation of

delcol

Programs for Manipulation of

delcols

Programs for Manipulation of

delline

Programs for Manipulation of

densplt

no title | no title | no title | no title | Programs display_density - display

dif

Programs for Manipulation of

display

Example - how to | Starting a simulation | Options for a running | mcdisp - the Calculation | Viewing the results of | no title | Programs for Graphical display | Programs for Graphical display | no title | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display,displaybubbles , displaycontour,displaytext | Programs display_densities - display | no title | Program hkl, hkl2d and | no title | no title | Fitting is an art: | Fitting is an art: | Fitting is an art: | Fitting is an art: | Fitting is an art: | Programs for Manipulation of | Programs for Manipulation of

display_densities

Viewing the results of | Evaluating results - Graphical | Evaluating results - Graphical | no title | no title | no title | no title | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display | Programs display_densities - display

display_density

no title | no title | no title | no title | Programs display_density - display | Programs display_density - display

displaybubbles

Viewing the results of | Viewing the results of | Viewing the results of | no title | Programs display,displaybubbles , displaycontour,displaytext | Programs for Manipulation of

displaycontour

Viewing the results of | Viewing the results of | Viewing the results of | Dipole Approximation | Dipole Approximation | Powder-averaging the spectra | Running McPhase and McDisp | Running McPhase and McDisp | no title | Programs display,displaybubbles , displaycontour,displaytext | Programs for Manipulation of

displayhtml

Programs for Manipulation of

displaytext

Programs for Graphical display | no title | Programs display,displaybubbles , displaycontour,displaytext | Programs for Manipulation of

epsdebye

Programs for Specific Tasks

expcol

Programs for Manipulation of

extendunitcell

Programs for Specific Tasks

factcol

Programs for Manipulation of

fermicol

Programs for Specific Tasks

fform

Programs for Manipulation of

fillcol

Programs for Manipulation of

fitfermi

Programs for Specific Tasks

formfactor

Programs for Specific Tasks

FullProf

How to generate and

gauss

How to generate and | Programs of General Interest

gauss2d

Programs of General Interest

gausscol

Programs for Manipulation of

getvalue

Programs for Manipulation of

getvariable

Programs for Manipulation of

histcol

Programs for Manipulation of

hkl

no title | Program hkl, hkl2d and | Program hkl, hkl2d and

hkl2d

no title | Program hkl, hkl2d and

ic1ion

Getting Started ... | Intermediate Coupling | no title | no title | no title | using ic1ion as a | using ic1ion as a | Programs display_density - display

int

Programs for Manipulation of

kramer

Getting Started ...

linreg

Programs for Manipulation of

lorentz

How to generate and | Programs of General Interest

lorentzcol

Programs for Manipulation of

makenn

mcphas.j - lattice and | mcphas.j - lattice and | mcphas.j - lattice and | Programs for Specific Tasks | Programs for Specific Tasks

mcdiff

Introduction | Example - how to | no title | mcdiff - calculate and | mcdiff - calculate and | mcdiff - calculate and | mcdiff - calculate and | mcdiff - calculate and | How to generate and | How to generate and | How to generate and | How to generate and | How to generate and | How to calculate only | How to calculate only | Formalism II - Neutron | Formalism II - Neutron | Going beyond the Dipole | no title | no title | no title | no title | no title | no title | External module function mqcalc | Programs display_densities - display | no title | Program hkl, hkl2d and | Program hkl, hkl2d and | Program hkl, hkl2d and | Program hkl, hkl2d and | Programs for Specific Tasks | Programs for Specific Tasks | Magnetic Form factors for

mcdiff.in

Single Ion Modules

mcdisp

mcdisp - the Calculation | example of input file | Formalism | Dipole Approximation | Diffuse Scattering | no title | Calculation of the Dispersion | Calculation of the Dispersion | Resonant Inelastic X-ray Scattering(RIXS) | Running McPhase and McDisp | Running McPhase and McDisp | no title | no title | no title | no title | no title | no title | External module functions dmq1 | no title | External module functions drixs1 | no title | no title | no title | no title | using ic1ion as a | Programs for Specific Tasks | An Isotropic Spin - | Magnetic Form factors for | Solution of the exercises

mcdisp.mf

mcdisp - the Calculation | mcdisp - the Calculation | example of input file | Diffuse Scattering | Solution of the exercises

mcdisp.par

mcdisp - the Calculation | mcdisp - the Calculation | no title | Diffuse Scattering | Creation of the q-vector

mcphas

mcphas.ini - controlling the | subdirectory ./fit - experimental | Starting a simulation | Starting a simulation | Starting a simulation | Starting a simulation | Starting a simulation | Starting a simulation | Starting a simulation | no title | no title | no title | no title | using ic1ion as a | Program felog - display | Programs for Specific Tasks | Programs for Specific Tasks | A Kramers Ground State | An Isotropic Spin -

mcphas.ini

Input Files | no title | mcphas.ini - controlling the | no title | Example mcphas.ini file for | Starting a simulation | Starting a simulation

mcphas.j

mcphas - calculation of | Input Files | no title | mcphas.j - lattice and | mcphas.j - lattice and | mcphas.j - lattice and | mcphas.j - lattice and | no title | mcdisp - the Calculation | Creation of the q-vector | no title | Setting up mcphas.j and | Setting up mcphas.j and | Single Ion Modules | External module function Icalc | External module function du1calc | External module function mcalc | External module function dm1 | External module function dP1 | Programs for Specific Tasks | Programs for Specific Tasks | Programs for Specific Tasks

mcphas.tst

Input Files | no title | no title | Example mcphas.tst file for

moments of a distribution

Programs for Manipulation of

multcol

Programs for Manipulation of

newcol

Programs for Manipulation of

newcols

Programs for Manipulation of

newline

Programs for Manipulation of

perl parsing

Single Ion Modules

pointc

Using so1ion (Cfield) separately | Example - how to | using ic1ion as a | Programs for Specific Tasks | Programs for Specific Tasks | Programs for Specific Tasks | Programs for Specific Tasks

potcol

Programs for Manipulation of

powdercell2j

Programs for Specific Tasks

quartett.so

Getting Started ...

radwavfunc

Radial Wavefunction | Programs for Specific Tasks

range

Programs for Manipulation of

RIXS

no title

rotate

Programs for Manipulation of

rotateBlm

Programs for Specific Tasks

rpvalue

Telling the fitting program, | Programs for Manipulation of | Programs for Manipulation of

script2html

Programs of General Interest

searchspace

Searchspace and Simannfit - | Setting up parameter files | Setting up parameter files | Setting up parameter files | Setting up parameter files | Starting a parameter space | Starting a parameter space | Starting a parameter space | Programs for Specific Tasks

setup_jqfit

Programs for Specific Tasks

setup_mcdiff_in

mcdiff - calculate and | Program hkl, hkl2d and | Programs for Specific Tasks

setup_mcdisp_mf

example of input file | Programs for Specific Tasks

setup_mcphasjforfit

Programs for Specific Tasks

setvalue

Programs for Manipulation of

setvariable

Programs of General Interest

shiftcol

Programs for Manipulation of

simannfit

example of input file | Searchspace and Simannfit - | Searchspace and Simannfit - | Setting up parameter files | Setting up parameter files | Telling the fitting program, | Starting a fit | Programs for Specific Tasks | Programs for Manipulation of

sincol

Programs for Manipulation of

singleion

Single Ion Modules | Single Ion Modules | All about Programming External | All about Programming External | no title | External module function Icalc | no title | no title | no title | Programs for Specific Tasks

so1ion

Introduction | Getting Started ... | Getting Started ... | Getting Started ... | no title | Using so1ion (Cfield) separately | Using so1ion (Cfield) separately | Using so1ion (Cfield) separately | no title | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | no title | Using so1ion as a | Using so1ion as a | Module Tasks: | Module Tasks: | Module Usage: | Module Usage: | mcphas - calculation of | mcphas.ini - controlling the | Single Ion Property Input | Resonant Inelastic X-ray Scattering(RIXS) | Including Quadrupolar and Higher | Setting up mcphas.j and | Setting up mcphas.j and | Setting up mcphas.j and | Single Ion Modules | Single Ion Modules | External module function mqcalc

spins

Output Files - mcphas.qvc,phs,sps,mf,fum,j1...,xyt,hkl | mcdiff - calculate and | Going beyond the Dipole | example of input file | no title | no title | no title | no title | Programs display_densities - display

substitute

Programs of General Interest

sum_mcdiff_out

How to calculate only

sumcol

Programs for Manipulation of

swapcol

Programs for Manipulation of

tancol

Programs for Manipulation of

tanhcol

Programs for Manipulation of

uvw2fwhm

How to generate and | Programs for Manipulation of

zshift

Programs for Manipulation of