Update some IN5 files from /home/cs/lambda/macros/IN5/JOR_LIBRARY

85085fdd · Miguel Angel Gonzalez · a9afb575 · 85085fdd · 85085fdd · 85085fdd
Commit 85085fdd authored Aug 02, 2019 by Miguel Angel Gonzalez
--- a/lamp_mac/IN5/in5_gdos.pro
+++ b/lamp_mac/IN5/in5_gdos.pro
--- a/lamp_mac/IN5/in5_pab.pro
+++ b/lamp_mac/IN5/in5_pab.pro
+FUNCTION in5_pab,w_in,emin=emin,emax=emax, dw=dw, verbose = verbose
+  ;** *********************************************************
+  ;
+  ; Examples:
+  ;
+  ;  w2 = in5_pab(w1, /verbose)
+  ;
+  ; w2 =  in5_pab(w1, emin = -150, emax = 0.0, /verbose)
+  ;
+  ;
+  ; Calculates (P(a,b))
+  ;
+  ;    P(a,b)=S(2theta,w)*Q^2/w/n(w,T)
+  ;
+  ;  w1 should be a horizontal S(Q,w) (after sqw_rebin and transpose)
+  ;
+  ;
+  ;----------------------------------------------------
+  ; empty cell 300K-500 5.1A
+  ;----------------------------------------------------
+  ;  a = '180632>180662'
+  ;  w1 = rdopr(a) & w1 = remove_spectra(w1,M) & w1 = normalise(w1) & w1 = sumbank(w1) & w1 = in5_vnorm(w1, w60, /verbose)
+  ;  w2 = in5_t2e(w1, w60, /verbose)
+  ;  w3 = in5_pab(w2, /verbose) ; axes in E, Phi for sqw_rebin 
+  ;  w4 = in5_sqw_rebin(w3, emin=-100., dq=0.02, /verbose)
+  ;  w5 = transpose(w4)
+  ;
+  ;
+  ;
+  ;
+  ; New: JO, Fri Jul  7 15:47:16 2017 Pab for nuclear data
+  ;
+  ;
+  ;** *********************************************************
+
+  COMMON c_lamp_access, inst
+  COMMON printing, iprint, outstring
+
+  take_datp, datp
+  par  = datp.p
+  x_in = datp.x
+  y_in = datp.y
+  e_in = datp.e
+
+  lambda = par(21)
+  temp   = par(11)
+  ei = 81.799/(lambda^2)+x_in*0.
+  sz = size(w_in)
+
+  IF (temp EQ 0.0) THEN BEGIN
+    print, 'WARNING: Temperature not found, set to 300 K'
+    temp=300.0
+  ENDIF
+  IF NOT keyword_set(emax) THEN emax = MAX(x_in)
+  IF NOT keyword_set(emin) THEN emin = MIN(x_in)
+  IF NOT keyword_set(dw)   THEN dw = 0.0
+
+  IF keyword_set(verbose) THEN BEGIN
+    print, 'IN5_PAB: T      =',strtrim(string(temp),2),' K'
+    print, 'IN5_PAB: lambda =',strtrim(string(lambda),2),' A'
+    print, 'IN5_PAB: emin=',strtrim(string(emin),2),' meV, emax=',strtrim(string(emax),2),' meV'
+  ENDIF
+
+  points=where(x_in GE emin AND x_in LE emax)
+
+  w_buf=w_in & e_buf=e_in & y_out=y_in
+
+  ; -------------------------
+  ; Compute Alpha and Beta
+  ; -------------------------
+  ;
+  ; a = hbar^2 Q^2/2mkT and DW factor
+  q2=w_in*0.0 & deb_wal=q2
+  x_in=FLOAT(x_in)
+  FOR i=0,n_elements(y_in)-1 DO q2[*,i]=2*ei[*]-x_in[*]-2*sqrt(ei[*]*ABS(ei[*]-x_in[*]))*cos(y_in[i]*!PI/180)
+  q2=q2/2.072
+  deb_wal=exp(-dw*q2)
+  a = q2*deb_wal
+
+  ; b = hbar omega/kT
+  ;  b = x_in/(1-exp(-1.*x_in*11.6045/temp))
+  b = x_in*11.6045/temp
+
+
+
+
+  indnul=WHERE(ABS(b) LE 1.e-12)
+  IF n_elements(indnul) GT 1 THEN BEGIN
+    w_buf(indnul,0:n_elements(y_in)-1)=0.
+    b(indnul)=1.
+  END
+
+  ; -------------------------------------
+  ; Compute S(a,b)
+  ; -------------------------------------
+  w_buf = w_buf/a
+  e_buf = e_buf/a
+  ;  FOR i=0,n_elements(x_in)-1 DO BEGIN
+  ;    w_buf[i,*] = w_buf[i,*]/a
+  ;    e_buf[i,*] = e_buf[i,*]/a
+  ;ENDFOR
+
+  ; simplification: 2*b*sinh(b/2)*exp(-b/2) = x (1 - Cosh[x] + Sinh[x])
+
+  FOR i=0,n_elements(y_in)-1 DO BEGIN
+;    w_buf[*,i] = 2*b*sinh(b/2)*w_buf[*,i] *exp(-b/2)
+;    e_buf[*,i] = 2*b*sinh(b/2)*e_buf[*,i] *exp(-b/2)
+    w_buf[*,i] = 2*b*sinh(b/2)*w_buf[*,i] *exp(-b/2)
+    e_buf[*,i] = 2*b*sinh(b/2)*e_buf[*,i] *exp(-b/2)
+;    w_buf[*,i] = b*(exp(b)-1)*w_buf[*,i]
+;    e_buf[*,i] = b*(exp(b)-1)*e_buf[*,i]
+  ENDFOR
+
+
+
+  ;************************
+  ;output
+  ;************************
+  ;  y_out = a[points]   ; alpha is x Q^2
+  ;  x_out = b[points]   ; beta is x hw
+
+  ; in Phi and energy as for Sqw_rebin:
+  y_out = y_in           ; in 2theta
+  x_out = x_in[points]   ;
+  e_out = e_buf[points,*]
+  w_out = w_buf[points,*]
+
+
+  output:
+  mod_datp, datp, "e", e_out
+  mod_datp, datp, "x", x_out
+  mod_datp, datp, "y", y_out
+  mod_datp, datp, "x_tit", "Energy [meV]"
+  mod_datp, datp, "y_tit", "$2\theta$]"
+  give_datp, datp
+
+  return, w_out
+
+END
--- a/lamp_mac/IN5/in5_qstrip.pro
+++ b/lamp_mac/IN5/in5_qstrip.pro
@@ -119,10 +119,10 @@
 ; -------------------------------------------------------------------------------------
 ;	Set constants and prepare arrays for rebinning to regular Q-E grid
 ; -------------------------------------------------------------------------------------
-	const1 = 5.22697		; E(meV)=const1*V(m/ms)^2 for neutron
+	const1 = 5.22697		    ; E(meV)=const1*V(m/ms)^2 for neutron
 	const2 = 2.07193571	    ; E(meV)=const2*k(A^-1)^2 for neutron
-	const3 = 3.956076		; V(m/ms)=const3/lambda(A) for neutron
-	const4 = 81.8066		; E(meV)=const4/lambda(A)^2 for neutron
+	const3 = 3.956076		    ; V(m/ms)=const3/lambda(A) for neutron
+	const4 = 81.8066		    ; E(meV)=const4/lambda(A)^2 for neutron

 	Ei    = const4 / lambda^2
 	ki    = SQRT(Ei / const2)
@@ -132,6 +132,10 @@
 	Eps[0]      = x_in[0]-(x_in[1]-x_in[0])/2.
 	Eps[1:nx-1] = (x_in[0:nx-2]+x_in[1:nx-1])/2.
 	Eps[nx]     = x_in[nx-1]+(x_in[nx-1]-x_in[nx-2])/2.
+	
+;	Seems to be a shift of 1/2 dE in the output energies ... ?
+	Eps = Eps + 0.5*(Eps[1] - Eps[0])
+

 ;	IF keyword_set(verbose) THEN PRINT,'x=',x_in


--- a/lamp_mac/IN5/in5_sqw_rebin.pro
+++ b/lamp_mac/IN5/in5_sqw_rebin.pro
--- a/lamp_mac/IN5/in5_t2e.pro
+++ b/lamp_mac/IN5/in5_t2e.pro
@@ -150,7 +150,7 @@ function in5_t2e,w_in, w_van, elp=elp, average_elp=average_elp, verbose=verbose
 ;                Is it always true ???
 ; ----------------------------------------------------------------------------------       
    epp   = gauss[*,2] - 1.0
-
+  

 ; ----------------------------------------------------------------------------------       
 ;       Transform into S(2theta,W) 
@@ -173,7 +173,8 @@ function in5_t2e,w_in, w_van, elp=elp, average_elp=average_elp, verbose=verbose
            print, 'T2E: Elastic peak position forced to (AVERAGE_ELP): ', strtrim(string( average_elp ),2)   
    endif 
    if keyword_set(elp) then begin
-        average_elp = elp 
+;      same on the ELP index: should be read indice - 1 (see above)
+        average_elp = elp - 1
        epp = average_elp # (fltarr(nspectra)+1.)
        if keyword_set(verbose) then $
           print, 'T2E: Elastic peak position forced to user value (ELP) : ', strtrim(string( elp ),2)

--- a/lamp_mac/IN5/in5_vnorm.pro
+++ b/lamp_mac/IN5/in5_vnorm.pro
@@ -69,7 +69,8 @@ FUNCTION in5_vnorm, w_in, w_van0, $
 ;               JOR, Fri Feb 15 19:07:51 CET 2013:  Debye-Waller corrections for PSD case.                                  
 ;               JOR, Wed Nov 20 14:47:36 CET 2013:  Add the absolute normnalisation for the PSD case. Changes have 
 ;                                                   been made in t2e_psd for correctness of the result vnorm+t2epsd.
-;
+;              
+;               JOR, Mon Oct  3 10:35:44 CEST 2016  Remove the restriction on Nb channels
 ;
 ;-
 ;
@@ -105,7 +106,7 @@ forward_function str_fit
   size_win = SIZE(w_in)
 ;  IF keyword_set(verbose) THEN PRINT,'SIZE(w_in)=',size_win
   nchannels = size_win[1]
-   IF size_win[0] EQ 1 THEN  nspectra = 1      ; A single 1D spectrum
+   IF size_win[0] EQ 1 THEN  nspectra = 1       ; A single 1D spectrum

    IF size_win[0] EQ 2  THEN BEGIN             ; 2D [ToF,phi] Debye-Scherrer usual dataset 
        nspectra = size_win[2]
@@ -171,8 +172,7 @@ forward_function str_fit
 		GOTO, fin
 	ENDIF
     
- 	IF (size_wvan[1] NE size_win[1]) OR $
-  	(size_wvan[2] NE size_win[2]) THEN BEGIN
+ 	IF (size_wvan[2] NE size_win[2]) THEN BEGIN
 	    sstr = 'VNORM: ERROR:  Win and Vanadium data are not on the same format:'
         print, sstr
         print, ' Win  : ', size_win

--- a/lamp_mac/IN5/mupho_example.prox
+++ b/lamp_mac/IN5/mupho_example.prox
+; -----------------------------------
+;   
+;   @mupho_example
+;   
+;  w1 contains a reduced data set. 
+;
+;
+; -----------------------------------
+RDSET,inst="IN4"
+rdset, path = '../../rawdata/'
+
+; data numbers for file naming
+c = '189138-189167'
+
+; -------------------------------------------------------------
+; gdos (Bredov & Ostowskii) through the MUPHOCOR routine
+; -------------------------------------------------------------
+; -------------------------------------------------------------
+; Create the MUPHOCOR input with various options.
+; WARNING: Sample parameters to be adjusted for the UO2 case:
+; amass: atomic mass = 238.03 + 2*16.0 = 270.03 g            (per formula unit) (90.01 g/at)
+; sig  : total scattering cross section: 8.908+ 2* 4.232 = 13.14 barns (per formula unit) (4.38 barns/at)
+; conc : concentration if one component: = 1
+; unt  : flat background
+; 
+; -------------------------------------------------------------
+s = 'input_mupho.txt'
+
+print, '--------------------------------------------------------------'
+print, ' UNT = ', strtrim(string(g),2)
+print, '--------------------------------------------------------------'
+
+; -------------------------------------------------------------
+;  the gdos sensible to   emax and unt
+; -------------------------------------------------------------
+w59 = write_mupho(w1, file=s, emax=70.0, abs=0.0, phimin=10.0, phimax=115.5, iemp=0, amass=270.03, sig=13.14, unt=g)
+
+; For check
+;  w21 = total(w1,2)
+;  w22 = read_mupho(file=s) & see, w22, /below
+
+
+; -------------------------------------------------------------
+; Compute the GDOS with the MUPHOCOR routine
+; -------------------------------------------------------------
+
+; without multi-phonon corrections (/first_guess)
+; -------------------------------------------------------------
+w10 = muphocor(s, /first_guess) & see, w10, /below
+
+; with multi-phonon corrections
+; -------------------------------------------------------------
+w11 = muphocor(s) & see, w11, /below
+y_tit(10) = 'GDOS [a.u.]'
+y_tit(11) = 'GDOS [a.u.]'
+      
+; -------------------------------------------------------------
+; plotting  (better thsan the basics above)     
+; -------------------------------------------------------------
+p = plot(x10, w10, '-db', xrange=[0,140], yrange=[0, 0.12], name='wo. multi-ph corr.')
+q = plot(x11, w11, '-tur', xrange=[0,140], yrange=[0, 0.12], name='with multi-ph corr.', /overplot)
+
+p.xtitle='Energy [meV]'
+p.ytitle='G(w) [a.u.]'
+p.XTickLen=1.0
+p.YTickLen=1.0
+p.XGridStyle=1
+p.YGridStyle=1 & p.xminor=0 & p.yminor=0
+p.title= 'IN4 GDOS - UO2, 1.7 $\AA$ ,  T ~ 446-346 K'
+l= LEGEND(TARGET= [p,q], POSITION=[140, 0.115], /DATA, /AUTO_TEXT_COLOR)
+p.save, "Figures/gdos_xxx.png", BORDER=10, RESOLUTION=300 ;;, /TRANSPARENT
+
+
+      
+; -------------------------------------------------------------
+;  write in column format
+; -------------------------------------------------------------
+WRITE_LAMP,"gdos_muphocor_"+c, w=10, format="column"     
+WRITE_LAMP,"gdos_muphocor_multi_"+c, w=11, format="column"     
+
+; -------------------------------------------------------------
+;  write in hdf
+; -------------------------------------------------------------
+s = "gdos_muphocor_"+c
+WRITE_LAMP, s, w=10, format="hdf"     
+spawn,"mv -f "+s+"_LAMP.hdf "+s+".hdf"
+s = "gdos_muphocor_multi_"+c
+WRITE_LAMP, s, w=11, format="hdf"     
+spawn,"mv -f "+s+"_LAMP.hdf "+s+".hdf"
+
--- a/lamp_mac/IN5/read_mupho.pro
+++ b/lamp_mac/IN5/read_mupho.pro
@@ -2,7 +2,7 @@
 ;
 ; read_mupho
 ; 
-; Read the input_mupho.txtx inut files for MUPHOCOR routine
+; Read the input_mupho.txt inut files for MUPHOCOR routine
 ; and exit the "Z00" time-of-flight distribution in a workspace.
 ;
 ;  Example:
@@ -36,6 +36,7 @@ FUNCTION read_mupho, file=file
  E0=0. & FP=0. & CW=0. & XNEL=0. & FIMI=0. & FIMA=0. & ABK=0. & AEMP=0.
  READF,u ,E0,FP,CW,XNEL,FIMI,FIMA,ABK,AEMP

+
  ; ---------------------------------------------------------------------------
  ;     NSPEC: NUMBER OF DIFFERENT ATOMIC SPECIES
  ; ---------------------------------------------------------------------------
@@ -65,7 +66,6 @@ FUNCTION read_mupho, file=file
    SIGI[I]=tmp[1]
    CONCI[I]=tmp[2]
  ENDFOR
- 

  IF (NSPEC EQ 2) THEN BEGIN
    tmp=fltarr(LPAR)
@@ -103,19 +103,25 @@ FUNCTION read_mupho, file=file
  UNT=0. & FUN=0.
  READF,u,UNT,FUN
  
-  
+ 
  Z00=fltarr(1024) & UN0=Z00
 
+ 
+ 
  IF (ISOUR NE 1) THEN BEGIN
    tmp=fltarr(NOO-NUU+1) 
    READF,u,tmp,format=fmt40 
+    
+    print, NUU
+    
    Z00[NUU-1]=tmp
    IF (FUN NE 0.) THEN BEGIN
      READF,u,tmp,format=fmt40 
      UN0[NUU-1]=tmp 
    ENDIF
  ENDIF
-  
+     
+
  ; ---------------------------------------------------------------------------
  ; Print the input parameters
  ; ---------------------------------------------------------------------------

--- a/lamp_mac/IN5/write_mupho.pro
+++ b/lamp_mac/IN5/write_mupho.pro
 FUNCTION write_mupho, w_in, file=file, phimin=phimin, phimax=phimax, abs=abs, $
-                       aemp=aemp, emax = emax, sam=sam, npho=npho, itm=itm, $
-                       ivit=ivit, idw=idw, iemp=iemp, ires=ires, ipr=ipr, iloss=iloss, $
-                       amass=amass, sig=sig, conc=conc, $
-                       unt=unt, fun=fun
-;+
-;
-; write_mupho(w_in, file='input_mupho.txt')
-;
-; w_in: Spectrum in time-of-flight
-; 
-; write_mupho sum the sin(theta)-weighted intensities of the instrument-free 
-; time-of-flight data and create the input_mupho.txt input file for the routine 
-; MUPHOCOR.
-; 
-; prox example:
-; 
-; RDSET,inst="IN5"
-; RDSET,base="Current Path"
-; w_clear, /all
-;
-;  ;  read the time-of-flight reduced data
-;  ; BGA at room temperature
-;  w1 = rdrun('152965_152990.hdf')
-;
-;  ; Create the MUPHOCOR input with various options
-;  w2 = write_mupho(w1, file='input_mupho.txt', emax=40.0, abs=0.0, phimin=31.0, phimax=134.8, iemp=0, amass=44.8, sig=3.9, conc=1.0, unt=0.015)
-;
-;  ; Compute the GDOS with the MUPHOCOR routine
-;  w10 = muphocor('input_test.txt') & see, w10, /below
-; 
-; 
-; 
-; input_mupho.txt example and parameters:
-; 
-;!     E0:INC. ENERGY(MEV)             FP:FLIGHTPATH(CM)
-;!     XNEL:CHANNEL OF ELASTIC LINE    CW:CHANNEL WIDTH(MYS)
-;!     FIMI:MIN.SCATT.ANGLE            FIMA:MAX.SCATT.ANGLE
-;!     UNT:CONST.BACKGROUND            ABK: Absorption coefficient
-;!     AEMP: Coeff. for calculating the detector efficiency
-;
-; e0,     fp,         cw,      xnel,     fimi,    fima,       abk,      aemp
-; 4.77    248.30      3.91    794.08     10.33    115.05      0.00      3.30
-;
-;
-;!       Correction OF constant backgroud FOR counter efficiency
-;  bac=unt/(1.0-EXP(-aemp/SQRT(e0-hot(n))))
-;
-;
-;
-;!     NSPEC: NUMBER OF DIFFERENT ATOMIC SPECIES
-;!     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
-; lm,     nspec,  iquo,lpar
-; 500     1       0    1
-;
-;!     HOX:   UPPER LIMIT OF DENSITY OF STATES
-;!     TEMPO: TEMPERATURE IN KELVIN
-;!     DW:    MEAN DEBY WALLER COEFFICIENT
-;
-;hox,    temp0,      dw
-;40.00    298.52      0.03
-;
-;
-;!     AMASI: ATOMIC MASS
-;!     SIGI : SIGMA
-;!     CONCI: CONCENTRATION
-;!     ALFI:  SCATTERING POWER
-;DO  i=1,nspec <-- 1 in our CASE so far
-;READ 40,amasi(i),sigi(i),conci(i)
-;END DO
-;amasi(i),  sigi(i),  conci(i)
-;44.80      3.90      1.00
-;
-;
-;!     NPHO:     NUMBER OF MULTI PHONON TERMS
-;!     ITM:      TOTAL NUMBER OF ITERATIONS
-;!     IVIT=0(1):ITERATION BY DIFFERENCE(QUOTIENT) METHOD
-;!     IDW=0:    DW COEFF. KEPT CONST.=INPUT VALUE,DW=1:DW COEFF.ITERATED
-;!     IEMP=1(0):CORRECTIONS FOR COUNTER EFFICIENCY WILL BE(NOT BE) DONE
-;!     IRES=1(0):DATA WILL BE(NOT BE) CORRECTED FOR SPECTR. RESOLUTION
-;!     IPR=1(0): Convolutions integrals o the multiphonon term are printed
-;!     ILOSS=1:  Analysis OF the imcomplete energy loss spectrum will be done
-;
-;npho,itm, ivit, idw, iemp, ires, ipr,iloss
-;5    10   10    1    1     0     0   0
-;
-;
-;
-;!     NU:  First channel OF spektrum NO: Last channel OF spektrum
-;!     NUU: First channel OF TOF distribution used FOR calculation
-;!     NOO: Last channel  OF TOF distribution used FOR calculation
-;!     IGLU: Number OF smoothing processes in CASE OF a time-dependant background
-;
-;isour,nuu, noo, nu,  no,    iglu
-;0     200  750  200  750    0
-;
-;
-;!     UNT: CONSTANT BACKGROUND
-;!     FUN: MULTIPLICATION FACTOR FOR TIME DEPENDENT BACKGROUND
-;
-;unt,      fun
-;1.0000    0.0000
-;
-;
-;;     Z00: TIME OF FLIGHT DISTRIBUTION
-;;     UN0: TIME DEPENDENT BACKGROUND (if fun = 1)
-;
+  aemp=aemp, emax = emax, sam=sam, npho=npho, itm=itm, $
+  ivit=ivit, idw=idw, iemp=iemp, ires=ires, ipr=ipr, iloss=iloss, $
+  amass=amass, sig=sig, conc=conc, $
+  unt=unt, fun=fun
+  ;+
+  ;
+  ; write_mupho(w_in, file='input_mupho.txt')
+  ;
+  ; w_in: Spectrum in time-of-flight
+  ;
+  ; write_mupho sum the sin(theta)-weighted intensities of the instrument-free
+  ; time-of-flight data and create the input_mupho.txt input file for the routine
+  ; MUPHOCOR.
+  ;
+  ; prox example:
+  ;
+  ; RDSET,inst="IN5"
+  ; RDSET,base="Current Path"
+  ; w_clear, /all
+  ;
+  ;  ;  read the time-of-flight reduced data
+  ;  ; BGA at room temperature
+  ;  w1 = rdrun('152965_152990.hdf')
+  ;
+  ;  ; Create the MUPHOCOR input with various options
+  ;  w2 = write_mupho(w1, file='input_mupho.txt', emax=40.0, abs=0.0, phimin=31.0, phimax=134.8, iemp=0, amass=44.8, sig=3.9, conc=1.0, unt=0.015)
+  ;
+  ;  ; Compute the GDOS with the MUPHOCOR routine
+  ;  w10 = muphocor('input_test.txt') & see, w10, /below
+  ;
+  ;
+  ;
+  ; input_mupho.txt example and parameters:
+  ;
+  ;!     E0:INC. ENERGY(MEV)             FP:FLIGHTPATH(CM)
+  ;!     XNEL:CHANNEL OF ELASTIC LINE    CW:CHANNEL WIDTH(MYS)
+  ;!     FIMI:MIN.SCATT.ANGLE            FIMA:MAX.SCATT.ANGLE
+  ;!     UNT:CONST.BACKGROUND            ABK: Absorption coefficient
+  ;!     AEMP: Coeff. for calculating the detector efficiency
+  ;
+  ; e0,     fp,         cw,      xnel,     fimi,    fima,       abk,      aemp
+  ; 4.77    248.30      3.91    794.08     10.33    115.05      0.00      3.30
+  ;
+  ;
+  ;!       Correction OF constant backgroud FOR counter efficiency
+  ;  bac=unt/(1.0-EXP(-aemp/SQRT(e0-hot(n))))
+  ;
+  ;
+  ;
+  ;!     NSPEC: NUMBER OF DIFFERENT ATOMIC SPECIES
+  ;!     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
+  ; lm,     nspec,  iquo,lpar
+  ; 500     1       0    1
+  ;
+  ;!     HOX:   UPPER LIMIT OF DENSITY OF STATES
+  ;!     TEMPO: TEMPERATURE IN KELVIN
+  ;!     DW:    MEAN DEBY WALLER COEFFICIENT
+  ;
+  ;hox,    temp0,      dw
+  ;40.00    298.52      0.03
+  ;
+  ;
+  ;!     AMASI: ATOMIC MASS
+  ;!     SIGI : SIGMA
+  ;!     CONCI: CONCENTRATION
+  ;!     ALFI:  SCATTERING POWER
+  ;DO  i=1,nspec <-- 1 in our CASE so far
+  ;READ 40,amasi(i),sigi(i),conci(i)
+  ;END DO
+  ;amasi(i),  sigi(i),  conci(i)
+  ;44.80      3.90      1.00
+  ;
+  ;
+  ;!     NPHO:     NUMBER OF MULTI PHONON TERMS
+  ;!     ITM:      TOTAL NUMBER OF ITERATIONS
+  ;!     IVIT=0(1):ITERATION BY DIFFERENCE(QUOTIENT) METHOD
+  ;!     IDW=0:    DW COEFF. KEPT CONST.=INPUT VALUE,DW=1:DW COEFF.ITERATED
+  ;!     IEMP=1(0):CORRECTIONS FOR COUNTER EFFICIENCY WILL BE(NOT BE) DONE
+  ;!     IRES=1(0):DATA WILL BE(NOT BE) CORRECTED FOR SPECTR. RESOLUTION
+  ;!     IPR=1(0): Convolutions integrals o the multiphonon term are printed
+  ;!     ILOSS=1:  Analysis OF the imcomplete energy loss spectrum will be done
+  ;
+  ;npho,itm, ivit, idw, iemp, ires, ipr,iloss
+  ;5    10   10    1    1     0     0   0
+  ;
+  ;
+  ;
+  ;!     NU:  First channel OF spektrum NO: Last channel OF spektrum
+  ;!     NUU: First channel OF TOF distribution used FOR calculation
+  ;!     NOO: Last channel  OF TOF distribution used FOR calculation
+  ;!     IGLU: Number OF smoothing processes in CASE OF a time-dependant background
+  ;
+  ;isour,nuu, noo, nu,  no,    iglu
+  ;0     200  750  200  750    0
+  ;
+  ;
+  ;!     UNT: CONSTANT BACKGROUND
+  ;!     FUN: MULTIPLICATION FACTOR FOR TIME DEPENDENT BACKGROUND
+  ;
+  ;unt,      fun
+  ;1.0000    0.0000
+  ;
+  ;
+  ;;     Z00: TIME OF FLIGHT DISTRIBUTION
+  ;;     UN0: TIME DEPENDENT BACKGROUND (if fun = 1)
+  ;
+
+  ; :Author: ollivier (2016-12-23)
+  ;-
+
+  ;Corrections:
+  ;
+  ;2017-07-04: doesn't work for water: no elastic line large enough
+

-; :Author: ollivier (2016-12-23)
-;-

-COMMON c_lamp_access, inst
+
+  COMMON c_lamp_access, inst

  s = SIZE(w_in)
-  if s[0] NE 2 THEN GOTO, ERROR
-  
+  IF s[0] NE 2 THEN GOTO, ERROR