lamp_mac/TOF/
muphocor.pro
PROGRAMM MUPHOCOR/5 REICHARDT 5.11.1991 **************************************************************** USE : W1=muphocor("filename" [,/first_guess] [,multi_phonon=2]) INPUT : "filename" OUTPUT : W1 is G(w) [first_guest if keyword is set] : multi_phonon=2 means get multi_phonon in Workspace W2 Version History: Fortran to Idl (Didier Richard Sept 2008) ";!!!" 24 Sep 2008 V1 (tested with 2 inputs: almost ok) multi1.plot: columns 1->6 identical (1000 pt) multi1.plot: column 7 identical until pt 500 !!! multi1.plot: column 8 identical until pt 500 !!! GDOS_plot.dat: columns 1->4 identical (1000 pt) GDOS_plot.dat: column 5 identical until pt 500 !!! DOS.dat: columns 1->7 identical (463 pt) DSDO.plot: columns 1->3 identical (1000 pt) DSDO.plot: column 4 identical until pt 500 !!! 26 Dec 2008 added output workspace for lamp
Routines
muph_cor, fifi, Wdos, Wmulti, title
muph_FOLD, FIN, FOUT, L, DELE
muph_INDATA, fifi, ok, u, title
muph_INTOF, u
muph_PREP1, LM2, LM5, E0, DELE
muph_EQUIT, LM5, QUO, QUAV, Wdos
muph_INCOMP, QUAV, GNU, GOM1, RMAI, DWI, GGES, GNUM, GNUP, u
muph_CONST
muph_CORRFA, LM, GNU, DELE, QUOFG, NSPEC
muph_SEPAR, LM, GNU, DELE, QUOFG, FPI, NSPEC
muph_VIPHO, GNUM, GNUP, NCASE
muph_MEAN, DELE
muph_MOMENT, GNU, HO, LMAX, DHO, CMO
muph_HEAT, LC, W, DVA, CTA, T, CV, TETAD
muph_RESCOR, Z0, Z00, u
muph_GLAT0, F0, F1, MAX
muph_SPLOT, NU, NO, XAX, Y1, Y1M, Y2, Y2M
result = muphocor(fifi, first_guess=first_guess, multi_phonon=multi_phonon)
Routine details
top muph_cor
muph_cor, fifi, Wdos, Wmulti, title
** ******** ** main entry ** Dimensions ** ********** ** muph_chn=1024 ;CHANNELS -> 600 ;!!! TO BE DYNAMIC ** muph_lm =1024 ;NUMBER OF DISCRET ENERGY INTERVALS -> 500*2 ;!!! TO BE DYNAMIC ** muph_cmo=10 ;DEBYE CUTOFF FREQUENCIES ** muph_cvr=100 ;TEMPERATURES etc... ** muph_trm=20 ;NUMBER OF MULTI-PHONON TERMS RESTRICTED TO 20 DUE TO DIMENSION ** muph_ers=3000 ;BUFFER filled in RESCOR, used in FOLD -> 2400 muph_lm*DELE*10 ;!!! ** muph_two=2 ;NSPEC ** ******
Parameters
- fifi
- Wdos
- Wmulti
- title
top muph_FOLD
*********************************************************************** ** muphocor stuff
Parameters
- FIN
- FOUT
- L
- DELE
top muph_INDATA
muph_INDATA, fifi, ok, u, title
*********************************************************************** ** muphocor stuff
Parameters
- fifi
- ok
- u
- title
top muph_INTOF
muph_INTOF, u
*********************************************************************** *********************************************************************** ** muphocor stuff
Parameters
- u
top muph_PREP1
muph_PREP1, LM2, LM5, E0, DELE
*********************************************************************** *********************************************************************** ** In subroutine PREP1 the temperature factor plus several other ** functions of Q or omega are calculated and stored in the ** respective data arrays
Parameters
- LM2
- LM5
- E0
- DELE
top muph_EQUIT
muph_EQUIT, LM5, QUO, QUAV, Wdos
*********************************************************************** *********************************************************************** ** muphocor stuff
Parameters
- LM5
- QUO
- QUAV
- Wdos
top muph_INCOMP
muph_INCOMP, QUAV, GNU, GOM1, RMAI, DWI, GGES, GNUM, GNUP, u
*********************************************************************** ** THIS PART OF THE PROGRAM ALLOWS TO ANALYSE SPECTRA IN ENERGY LOSS ** IF ONE CANNOT DETERMINE THE TOTAL SPECTRUM DUE TO A TOO LOW PRIM. ENERGY ** THE E-GAIN SP. IS USED FOR NORMALISATION AND MULTI-PHONON CORR.
Parameters
- QUAV
- GNU
- GOM1
- RMAI
- DWI
- GGES
- GNUM
- GNUP
- u
top muph_CONST
muph_CONST
*********************************************************************** ** Calculation of alpha(i) ** QFG0=S_0 : ratio of mean mass over effective mass ** QFG1=S_1 : c(1) over alpha(1) ** AMEFF: effective mass
top muph_CORRFA
muph_CORRFA, LM, GNU, DELE, QUOFG, NSPEC
*********************************************************************** *********************************************************************** ** If IQUO is unequal 0 an external model for the ratio of F/G has ** to be provided. The model is given through the array PARQ ** LG is the cut-off energy in units of DELE ** QUOFG(L) = S_0 +(S_1 - S_0) * L^2 ** FINT: Integrated G(omega) ** FINT1: Integrated S(omega)*G(omega) ** QUO0: S_@ ** OMAV2: second moment of G(omega)
Parameters
- LM
- GNU
- DELE
- QUOFG
- NSPEC
top muph_SEPAR
muph_SEPAR, LM, GNU, DELE, QUOFG, FPI, NSPEC
*********************************************************************** *********************************************************************** ** FINT: Integrated S(omega)*G(omega) ** FPI: partial densities of state
Parameters
- LM
- GNU
- DELE
- QUOFG
- FPI
- NSPEC
top muph_VIPHO
*********************************************************************** *********************************************************************** ** Folding of GNUM with GND. Output is stored in GNUP. ** Attention: The folding takes place in the range from 0 to 2 E_max
Parameters
- GNUM
- GNUP
- NCASE
top muph_MEAN
muph_MEAN, DELE
*********************************************************************** *********************************************************************** ** Subroutine MEAN averages the time spectrum in the region where ** there are several time channels per corresponding energy channel
Parameters
- DELE
top muph_MOMENT
muph_MOMENT, GNU, HO, LMAX, DHO, CMO
*********************************************************************** *********************************************************************** ** muphocor stuff
Parameters
- GNU
- HO
- LMAX
- DHO
- CMO
top muph_HEAT
muph_HEAT, LC, W, DVA, CTA, T, CV, TETAD
****************************************************************** ** FREQUENCY SCALE IN MEV
Parameters
- LC
- W
- DVA
- CTA
- T
- CV
- TETAD
top muph_RESCOR
*********************************************************************** *********************************************************************** ** muphocor stuff
Parameters
- Z0
- Z00
- u
top muph_GLAT0
*********************************************************************** *********************************************************************** ** muphocor stuff
Parameters
- F0
- F1
- MAX
top muph_SPLOT
muph_SPLOT, NU, NO, XAX, Y1, Y1M, Y2, Y2M
********************************************************************** ** muphocor stuff
Parameters
- NU
- NO
- XAX
- Y1
- Y1M
- Y2
- Y2M
top muphocor
result = muphocor(fifi, first_guess=first_guess, multi_phonon=multi_phonon)
** ******** ******** ** User callable ** call muphocor ,fifi, first_guess=fg, multi_phonon=Wmp
Parameters
- fifi
Keywords
- first_guess
- multi_phonon
File attributes
Modification date: | Tue Oct 1 14:39:52 2013 |
Lines: | 1,528 |