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
average
Programs for Manipulation of
beep
Programs of General Interest | Programs of General Interest
bfk
no title | no title
brillouin
Getting Started ...
cfield
Getting Started ... | Getting Started ... | Doing Single Ion Calculations | 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
no title | External module function ro_calc
cif2mcphas
...in version 5.2 ...
cluster
Getting Started ... | Getting Started ... | Single Ion Modules
convolute
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
cpsingleion
Example - how to
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 | 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 | Evaluating results - Graphical | Evaluating results - Graphical
display_density
Doing Single Ion Calculations | Doing Single Ion Calculations | Doing Single Ion Calculations | 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 | Viewing the results of | Viewing the results of | 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
fecalc
mcphas.ini - controlling the
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
...in version 5.2 ... | Introduction | 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
...in version 5.2 ... | mcdisp - the Calculation | mcdisp - the Calculation | example of input file | 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 | Module brillouin - an | Magnetic Form factors for | Dynamical Susceptibility and Excitations | Dipole Approximation | 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 | Module kramer - a | Module brillouin - an
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
...in version 5.2 ... | Doing Single Ion Calculations | 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
reduce_unitcell
Programs for Specific Tasks
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 | Programs for Specific Tasks
setup_mcdisp_mf
example of input file | Programs for Specific Tasks | Programs for Specific Tasks
setup_mcphasjforfit
Programs for Specific Tasks
setvalue
Programs for Manipulation of
setvariable
Programs for Specific Tasks | Programs of General Interest
shiftcol
Programs for Manipulation of
simannfit
...in version 5.2 ... | 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
...in version 5.2 ... | Introduction | no title | no title | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | Example - how to | 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
Getting Started ... | Getting Started ... | Getting Started ... | Doing Single Ion Calculations | Doing Single Ion Calculations | Doing Single Ion Calculations | 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
...in version 5.2 ... | 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
spinsfromq
...in version 5.2 ...
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


Martin Rotter 2017-01-10