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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

muph_FOLD, FIN, FOUT, L, DELE

*********************************************************************** ** 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

muph_VIPHO, GNUM, GNUP, NCASE

*********************************************************************** *********************************************************************** ** 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

muph_RESCOR, Z0, Z00, u

*********************************************************************** *********************************************************************** ** muphocor stuff

Parameters

Z0
Z00
u

top muph_GLAT0

muph_GLAT0, F0, F1, MAX

*********************************************************************** *********************************************************************** ** 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