************************************************************************************* HOW TO... HOW TO... HOW TO... ************************************************************************************* HOW TO CREATE .... ------------------------------------------------------------------------------------- .... INPUT FILES FOR A NEW COMPOUND ? - tutorial 00howto_quickly_create_input_files - programs powdercell, powdercell2j, makenn setup_jqfit, setup_mcphasjforfit ************************************************************************************* HOW TO CALCULATE ... ------------------------------------------------------------------------------------- .... CRYSTAL FIELD PARAMETERS - tutorial 03crystal_fields_cfield_so1ion - examples Gd3GaO6 - manual chapter programs for specific tasks ... pointc - programs pointc, mpe (editor of sipf files) ------------------------------------------------------------------------------------- .... CRYSTAL FIELD SPECTRA ? - tutorial 03crystal_fields_cfield_so1ion - examples PrNi2B2C, NdCu2 - manual chapters so1ion, ic1ion - programs so1ion, convolute, gauss,ic1ion, display, pointc ------------------------------------------------------------------------------------- .... NEUTRON DIFFRACTION PATTERN ? - tutorial 00howto_quickly_create_input_files 04magnetic_phases_mcphas - examples NdBa2Cu3O7, NdCu2b_new - manual chapter mcdiff - programs mcdiff, convolute, gauss,lorentz [mcphas,spins] ------------------------------------------------------------------------------------- .... MAGNETIC PHASE DIAGRAMS ? - tutorial 04magnetic_phases_mcphas - examples NdCu2* - manual chapter mcphas - programs mcphas, displaycontour ------------------------------------------------------------------------------------- .... SUSCEPTIBILITY AND MAGNETIZATION ? - tutorial 03crystal_fields_cfield_so1ion 04magnetic_phases_mcphas - examples PrNi2B2C, NdCU2 - manual chapter mcphas - programs so1ion, ic1ion, mcphas, display ------------------------------------------------------------------------------------- .... SPECIFIC HEAT ? - tutorial 03crystal_fields_cfield_so1ion 04magnetic_phases_mcphas - examples PrNi2B2C, NdCu2 - manual chapter mcphas - programs cpsingleion, mcphas, dif ------------------------------------------------------------------------------------- ************************************************************************************* HOW TO DISPLAY .... ------------------------------------------------------------------------------------- .... SIMPLE XY GRAPHS ? - tutorial 01some_programs - manual chapter Programs f. graph. display - programs display ------------------------------------------------------------------------------------- .... MAGNETIC STRUCTURE ? - tutorial 04magnetic_phases_mcphas - examples NdCu2 - manual chapter Programs f. graph. display - programs display_density,display_densities,javaview ------------------------------------------------------------------------------------- .... CHARGE DENSITIES ? - tutorial 03crystal_fields_cfield_so1ion - examples NdCu2, PrNi2Si2, PrNi2B2C,testic1ion - manual chapter Programs f. graph. display - programs display_density,display_densities,javaview ------------------------------------------------------------------------------------- .... SPIN AND ORBITAL WAVES ? - tutorial 05excitations_mcdisp - examples NdCu2, PrNi2Si2 - manual chapter Programs f. graph. display - programs display_density,display_densities,javaview ************************************************************************************* HOW TO FIT ... ------------------------------------------------------------------------------------- .... DIFFRACTION DATA ? - tutorial 02fitting - examples NdBa2Cu3O7 - manual chapter Searchspace and Simannfit mcdiff - programs mcdiff, simannfit, display, displaytext, rpvalue, chi2, substitute, factcol, ... ------------------------------------------------------------------------------------- .... INTERACTION PARAMETERS ? - tutorial 02fitting - examples CeCu2a, PrNi2B2C - manual chapter Searchspace and Simannfit - programs simannfit, searchspace, so1ion, ic1ion, mcphas, mcdisp,mcdiff ... substitute, factcol, addcol, ... display, displaytext, ... ------------------------------------------------------------------------------------- .... CRYSTAL FIELD SPECTRA ? - tutorial 02fitting 06fitting_crystal_field_spectra - examples PrNi2B2C - manual chapters so1ion,Searchspace and Simannfit - programs simannfit, searchspace, so1ion, pointc ------------------------------------------------------------------------------------- .... SPIN WAVE DISPERSION ? - tutorial 02fitting - examples CeCu2a - manual chapter mcphas, mcdiff, Searchspace and Simannfit - programs simannfit, searchspace, mcphas, mcdisp, ************************************************************************************* HOW TO TREAT/INCLUDE ... ------------------------------------------------------------------------------------- .... RARE EARTH IONS ? - examples NdCu2, any rare earth based - manual chapter so1ion - programs singlein, so1ion ------------------------------------------------------------------------------------- .... TRANSITION METAL and ACTINIDE IONS - examples testic1ion - manual chapter ic1ion - programs singleion, ic1ion ------------------------------------------------------------------------------------- .... BIQUADRATIC/QUADRUPOLAR ORBITAL INTERACTIONS ? - examples GdRu2Si2, DyCu2 - manual chapter Including Quadrupolar and Higher Order Interactions - programs mcphas, mcdisp *************************************************************************************