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Common Block SATELL

Specification

COMMON /SATELL/PROP(3),KPROP(3),KSTAB(49),NKSTAR,IPROP,FKSTAR,NKC,
&KCENT,INCOM,KOM21
LOGICAL INCOM

Description

PROP, KPROP magnetic propagation vector and refinement switch
KSTAB Symmetry table for configuration symmetry
NKSTAR number of arms in the star of PROP
IPROP Type of magnetic reflections
FKSTAR factor to scale magnetic intensities to account for
multiplicity of the star
KCENT 2 if PROP .NE. -PROP

Declared by

APSHDS to use PROP
CALCPA to use IPROP KCENT
CALDSM to use KPROP
FCHALC to use
FMCALC to use KSTAB FKSTAR
FMMPCA to use KSTAB FKSTAR
GENMAG to use PROP KSTAB NKSTAR IPROP
ICDFMT to use PROP IPROP
KSTARS to use PROP KSTAB
LMCALC to use KSTAB FKSTAR
LMMPCA to use KSTAB FKSTAR
LMTCAL to use KSTAB FKSTAR
MAGABS to use PROP IPROP
MAGCON to use PROP KSTAB IPROP
MAGDOM to use KSTAB
MAGSYM to use KSTAB
NDPOPS to use IPROP KCENT
OPMSYM to use KSTAB
PRIDOM to use IPROP KCENT
PROPAG to use PROP KPROP KSTAB IPROP
PROPER to use PROP KSTAB NKSTAR IPROP FKSTAR NKC KCENT INCOM
PSICON to use
SATFND to use KSTAB NKSTAR
SATGEN to use PROP KSTAB KCENT
TCHALC to use
ARISNP to use KSTAB NKC
ICDINC to use IPROP NKC KCENT
ARRINC to use KSTAB NKC
ICDINC to use IPROP NKC KCENT
CALMSF to use IPROP
CALQSF to use IPROP KCENT
GETMSF to use NKSTAR IPROP
INCMSF to use KSTAB NKC
ICDINC to use IPROP NKC KCENT
MAG3D to use PROP KSTAB NKC
MAGPOW to use PROP NKSTAR IPROP
MG3DGL to use KSTAB NKC
TCHMPC to use
PALSQ to use IPROP
SNPLSQ to use IPROP KCENT

Symbolic parameters used

SY+1 set to 49 dimensioning KSTAB

Common Block SCAN

Specification

COMMON /SCAN/PL(100),DP(100),VAR(100),PLMIN,PLMAX,VMIN,VMAX,ICYC,
&SA,JANG

Description

Data for a scan

Common Block SCLDAT

Specification

COMMON /SCLDAT/ISCALE,NSCALE,SCALE(20),KSCALE(20),NSCL,LSCD(10)

Description

Scale data for least squares

Declared by

CALCFR to use ISCALE SCALE KSCALE
CALCGM to use
CALCGR to use ISCALE SCALE KSCALE
CALCMG to use ISCALE SCALE KSCALE
CALCMP to use ISCALE SCALE KSCALE
CALCSF to use ISCALE SCALE KSCALE
CALMMG to use ISCALE SCALE KSCALE
CALPOL to use SCALE KSCALE
CALPOW to use ISCALE SCALE KSCALE
DOPOPS to use SCALE KSCALE
INPLSF to use NSCALE SCALE
LDSCAL to use NSCALE SCALE
LLSCAL to use NSCALE SCALE KSCALE NSCL LSCD
RREFSA to use ISCALE
RREFSF to use ISCALE NSCALE
STLSSF to use NSCALE
CHILSQ to use ISCALE SCALE
MAGLSQ to use ISCALE SCALE
MMPLSQ to use ISCALE SCALE
MPCLSQ to use ISCALE SCALE
MPLSQ to use ISCALE SCALE
SFLSQ to use ISCALE SCALE
SFTLSQ to use ISCALE SCALE
CALCTW to use ISCALE SCALE KSCALE
SNPLSQ to use ISCALE SCALE

Symbolic parameters used

SCAL set to 20 dimensioning SCALE KSCALE

Common Block SCRACH

Specification

COMMON /SCRACH/MESSAG,NAMFIL
CHARACTER *80 ICARD,MESSAG*100,NAMFIL*100
EQUIVALENCE (ICARD,MESSAG)

Description

Shared character buffers
ICARD receives all data read from CDF or with ASK

Declared by

ABSCOR to use MESSAG
ARPRIN to use MESSAG
ARREAD to use all members
ARRHED to use
ASK to use
BIGGAM to use
CARDIN to use
CDFIN to use
CDSCAN to use
CELNEW to use
DATASF to use MESSAG
DOCHI1 to use all members
DOMAG to use
DOMAG1 to use
DOMAG2 to use
DOMPL2 to use
DOPOPS to use
DOTWN1 to use
DOTWN2 to use
ERRATM to use
ERRCH2 to use
ERRIN2 to use
ERRRE2 to use
F2NEW to use
FILPRO to use NAMFIL
FINDCD to use
FORIER to use all members
FUDGIN to use
GETDC to use MESSAG
INITIL to use all members
INOBGR to use MESSAG
INPLSF to use NAMFIL
INPUAR to use MESSAG
INPUTA to use
INPUTC to use
INPUTD to use
INPUTF to use
INPUTJ to use
INPUTM to use NAMFIL
INPUTN to use
INPUTQ to use
INPUTS to use
INPUTT to use
LDSCAL to use
LISPEC to use MESSAG
LLDPOP to use
MAGCON to use
MAJUST to use all members
MOLORB to use
NEWCD to use all members
NEWCRY to use all members
NOPFIL to use all members
NWINDS to use
NWINFW to use
NWINSF to use all members
NWINT2 to use
OTPUTI to use
PIGLET to use
PLOTO to use
PLREAD to use all members
PREFIN to use all members
PROPAG to use
PSFILE to use MESSAG
RADFUN to use
RDDATA to use
RDINTG to use
RDREAL to use
RDWORD to use
READRT to use
REAPOL to use
REFHDR to use MESSAG
REJECT to use all members
RREFLS to use all members
RREFSA to use MESSAG
RREFSF to use all members
SAVMAP to use
SAYS to use
SETFOR to use
SETPOL to use
SPGNAM to use
STATPA to use
ABSMSF to use all members
ADDFC to use NAMFIL
ARISNP to use all members
ARRINC to use all members
ARRNGE to use all members
ARRSNP to use all members
AVERPA to use all members
AVEXAR to use all members
BONDS to use all members
CALMSF to use NAMFIL
CALQSF to use NAMFIL
CHILSQ to use
FORFAC to use NAMFIL
GENREF to use all members
GETMSF to use NAMFIL
GETSFZ to use NAMFIL
GRAFIC to use
INCMSF to use all members
MADUBM to use all members
MAG3D to use
MAG3DX to use
POSOUT to use MESSAG
MAGLSQ to use
MAGPOW to use NAMFIL
MEANWT to use
MG3DGL to use MESSAG
MMPLSQ to use
MPCLSQ to use
MPLSQ to use all members
PALSQ to use all members
POWDER to use NAMFIL
SFLSQ to use
SFTLSQ to use
SNPLSQ to use
SORASY to use all members
SORGAM to use all members

Symbolic parameters used

FNAM set to 100 dimensioning NAMFIL
MESS set to 100 dimensioning MESSAG

Common Block SFDATA

Specification

COMMON /SFDATA/NDATA,HS(3,5000),GOBS(5000),WGTS(5000),JSCALE(5000),
&ICODES(5000),CPARS(5,5000)

Description

Stored structure factor and other data for least squares refinements
NDATA the number of reflections stored
HS 3xNDATA vector of reflection indices
GOBS the array of data values
WGTS the weight of each observation
JSCALE the scaling zone number for each observation
CPARS Other constants which are needed and are independent of the LSQ
parameters (eg extinction constants)

Declared by

RREFLS to use all members
RREFSA to use all members
CHILSQ to use all members
MAGLSQ to use NDATA HS GOBS WGTS JSCALE CPARS
MMPLSQ to use NDATA HS GOBS WGTS JSCALE CPARS
MPCLSQ to use all members
MPLSQ to use NDATA HS GOBS WGTS JSCALE CPARS
SFLSQ to use NDATA HS GOBS WGTS JSCALE CPARS
SFTLSQ to use NDATA HS GOBS WGTS JSCALE CPARS
SNPLSQ to use all members

Symbolic parameters used

NLSQ set to 5000 dimensioning HS GOBS WGTS JSCALE ICODES CPARS

Common Block SLAKDA

Specification

COMMON /SLAKDA/NSLAK(4),SLKSWD(4),SLAKWT(4),CHISQD(4),ISLKTP,
&NSKTOT,KOM24

Description

Data describing slack constraints

Declared by

ADDATM to use
DFLTMG to use NSLAK
DFLTSF to use NSLAK
GEOMCO to use NSLAK
GEOMIN to use NSLAK SLAKWT NSKTOT
GEOMLS to use NSLAK SLAKWT ISLKTP
INPLSF to use NSLAK NSKTOT
MATSHF to use NSKTOT
PARSSF to use NSLAK
RFACS to use NSLAK SLKSWD SLAKWT ISLKTP NSKTOT
STLSSF to use NSLAK
SFLSQ to use NSLAK
SFTLSQ to use NSLAK
DFTWSF to use NSLAK

Symbolic parameters used

SKTP set to 4 dimensioning NSLAK SLKSWD SLAKWT CHISQD

Common Block SLKGEC

Specification

COMMON /SLKGEC/ATTNAM(20),BONNAM(20),ANGNAM(100),TORNAM(100)
CHARACTER *4 ATTNAM,BONNAM,ANGNAM,TORNAM

Description

Definitions of slack constraints

Declared by

ADDANG to use ATTNAM BONNAM ANGNAM
ADDATM to use ATTNAM
ADDBON to use ATTNAM BONNAM
ADDTOR to use all members
ANGLST to use BONNAM ANGNAM
BNDLST to use ATTNAM BONNAM
BONTRI to use BONNAM
GEOMCO to use ATTNAM
GEOMIN to use ATTNAM BONNAM ANGNAM
GEOMLS to use all members
RDANGL to use BONNAM
RDBOND to use ATTNAM

Symbolic parameters used

SANG set to 100 dimensioning ANGNAM
SLAK set to 20 dimensioning ATTNAM BONNAM
TANG set to 100 dimensioning TORNAM

Common Block SLKGEO

Specification

COMMON /SLKGEO/NSTYP,BOBS(20),EOBS(20),IATM(20,2),ISYM(20),
&ILAT(20),CELLTR(3,20),XSLAK(3,20),COSIN(3,3),IABASE(20),NST1,
&SLONLY,TOSTAR(6,6),BCALC(20),DERCEL(6,20),DERPOS(3,20,2),
&ITYPSK(20),INVBON(10,20),NINVB(20),INANG(100,3),INTOR(100,6),
&DERBON(10),NVB(10),NUMBON,NTARNM,NUMANG,NUMTOR,KOM25
LOGICAL SLONLY

Description

Geometry of slack constraints

Declared by

ADDANG to use INANG NUMBON NTARNM NUMANG
ADDATM to use ISYM ILAT CELLTR XSLAK IABASE NTARNM
ADDBON to use IATM NUMBON NTARNM
ADDTOR to use IATM INTOR NUMBON NTARNM NUMANG NUMTOR
ANGLST to use NUMANG
BNDLST to use NUMBON NTARNM
BONDER to use IATM ISYM XSLAK COSIN TOSTAR BCALC DERCEL DERPOS
BONTRI to use IATM
GEOMCO to use ISYM ILAT CELLTR XSLAK COSIN IABASE TOSTAR NTARNM
GEOMIN to use NSTYP BOBS EOBS IATM XSLAK NST1 SLONLY ITYPSK INVBON NINVB INANG NUMBON NTARNM NUMANG NUMTOR
GEOMLS to use BOBS EOBS IATM IABASE NST1 SLONLY BCALC DERCEL DERPOS ITYPSK INVBON NINVB DERBON NVB NUMBON
INPLSF to use NUMBON
RDANGL to use NUMBON
RDBOND to use NTARNM
RFACS to use SLONLY
SETFOR to use SLONLY
STLSSF to use SLONLY
SFLSQ to use SLONLY
SFTLSQ to use SLONLY

Symbolic parameters used

INVB set to 10 dimensioning INVBON DERBON NVB
SANG set to 100 dimensioning INANG
SLAK set to 20 dimensioning BOBS EOBS IATM ISYM ILAT CELLTR XSLAK IABASE BCALC DERCEL DERPOS ITYPSK INVBON NINVB
TANG set to 100 dimensioning INTOR

Common Block SOURCE

Specification

COMMON /SOURCE/NSOURC,JSOURC,KSOURC,NDASOU(1),METHOD(1),NPFSOU(1,
&1),NSOBS(1),SCALES(1),KSCALS(1),NPCSOU(1,1),LRFSRC(1,1)

Description

Multi-source information

Declared by

DOMPL2 to use
FIXVAR to use
FUDGIN to use KSOURC
INITIL to use NSOURC JSOURC KSOURC
MATINV to use KSOURC
PARNAM to use KSOURC
PARRD to use JSOURC KSOURC
PRIVAR to use KSOURC
PRIWRD to use KSOURC
RDFV to use KSOURC
RDWORD to use KSOURC
SPHELI to use JSOURC
TBLFND to use
VARMAK to use NSOURC JSOURC
VOCAB to use KSOURC
WGHTLS to use JSOURC KSOURC

Symbolic parameters used

PHAS set to 1 dimensioning METHOD NPFSOU NPCSOU LRFSRC
SORC set to 1 dimensioning NDASOU NPFSOU NSOBS SCALES KSCALS NPCSOU LRFSRC

Common Block SPLBCK

Specification

COMMON /SPLBCK/SCOEFF(100,1)

Description

Coefficients of splines used for backgrounds

Symbolic parameters used

BACK set to 100 dimensioning SCOEFF
SORC set to 1 dimensioning SCOEFF

Common Block STATS

Specification

COMMON /STATS/WRK1(5),WRK2(5),WRK3(5),AMEAN(2),DEV(2),SUMS(12),X,
&DX,RAT,DRAT

Description

Holds statisics for a group of equivalent reflections

Declared by

STATIS to use WRK1 WRK2 WRK3 AMEAN DEV SUMS DX RAT DRAT
ABSMSF to use AMEAN DEV SUMS
ABSOUT to use WRK2
INCMSF to use AMEAN DEV SUMS

Common Block SYMDA

Specification

COMMON /SYMDA/SYM(3,3,48),TRANS(3,48),ALAT(3,4),ORIGIN(3),KOM26

Description

SYM rotation matrice of symmnetry operators
TRANS translation vectors of symmnetry operators
ALAT non-primitive lattive translations,
ORIGIN(3) displacement of origin from centre (not yet used)

Declared by

ATMPLO to use ALAT
ATMPLT to use
ATOGEN to use TRANS
ATOPOS to use TRANS
BNDLST to use TRANS ALAT
CHITRN to use SYM
DOCHI1 to use SYM
DOMPL2 to use
EQOP to use ALAT
ERRMAP to use TRANS
F2RELA to use SYM
FCALC to use TRANS
FCHALC to use TRANS
FMCALC to use TRANS
FMMPCA to use TRANS
FMPCAL to use TRANS
ISPABS to use TRANS
LATABS to use ALAT
LFCALC to use TRANS
LMCALC to use TRANS
LMMPCA to use TRANS
LMPCAL to use TRANS
LMTCAL to use TRANS
MAGCON to use TRANS
MAGSYM to use SYM
MPCON to use SYM
MUCALC to use TRANS
NORDER to use SYM
OPSYM to use SYM TRANS ALAT
PROPAG to use SYM
PSICON to use
RELMT3 to use SYM
RELPOS to use SYM
ROTOSM to use SYM
ROTSYM to use SYM
SUBSYM to use SYM TRANS
SYMBAK to use SYM TRANS
SYMCEN to use ORIGIN
SYMEQU to use TRANS
SYMOP to use ALAT
SYMREF to use TRANS
SYMTID to use SYM TRANS
SYMUNI to use SYM
TCHALC to use TRANS
UNUSYM to use SYM TRANS
USYM to use SYM TRANS
XROOT to use TRANS ALAT
XTRANS to use TRANS ALAT
XYZREL to use SYM
MAG3D to use TRANS ALAT
MG3DGL to use TRANS ALAT
TCHMPC to use TRANS

Symbolic parameters used

SYMO set to 48 dimensioning SYM TRANS

Common Block SYMMAG

Specification

COMMON /SYMMAG/MTSYM(49),MSTAB(49),NMSYM,OTRSYM(3,3,49),MTYP,NDOM,
&FERO,FERA,HELI,AMOD,ANTI,PARA,MODUL,MAGCEN,KOM20
LOGICAL FERO,FERA,HELI,AMOD,ANTI,PARA,MODUL,MAGCEN

Description

MTSYM time inversion operator for each symmetry element
MSTAB magnetic symmetry table
NMSYM number of elements in the magnetic group
OTRSYM magnetic symmetry operators on orthogonal axes
MTYP type of magnetic structure
NDOM number of s domains
FERO,FERA,HELI,AMOD,ANTI,PARA,MODUL,logicals indicating the structure type
MAGCEN logical true if magnetic structure is centric

Declared by

CALCFR to use PARA
CALCPA to use NDOM
CALMMG to use NDOM
DATASF to use PARA
DFLTMG to use HELI AMOD
DOCHI1 to use MTYP PARA
DOMAG to use MTYP FERO FERA HELI AMOD ANTI MODUL
DOMAG1 to use MTYP FERO FERA HELI AMOD ANTI MODUL
DOMAG2 to use MTYP HELI
FCHALC to use
FMCALC to use MSTAB OTRSYM FERO HELI MODUL
FMMPCA to use MSTAB OTRSYM FERO FERA HELI MODUL
LMCALC to use MSTAB OTRSYM FERO FERA HELI MODUL
LMMPCA to use MSTAB OTRSYM FERO FERA HELI MODUL
LMTCAL to use MSTAB OTRSYM FERO FERA HELI MODUL
LOGMAG to use MTYP FERO FERA HELI AMOD ANTI PARA MODUL
MAGCNC to use FERO FERA HELI
MAGCNL to use FERO FERA HELI MODUL
MAGCON to use MTSYM MSTAB OTRSYM HELI MODUL
MAGDOM to use MSTAB FERO
MAGSYM to use MTSYM MSTAB OTRSYM NDOM FERO FERA
MTPROD to use MTSYM
NDPOPS to use NDOM FERA
OPMSYM to use MSTAB OTRSYM
PRIDOM to use MSTAB NDOM FERA
PROPER to use
PSICON to use MSTAB
CALQSF to use NDOM
MAG3D to use OTRSYM MTYP MODUL
MAGLSQ to use MTYP FERA HELI
MG3DGL to use OTRSYM MTYP MODUL
MMPLSQ to use MTYP FERA HELI
PALSQ to use NMSYM MTYP NDOM HELI
SNPLSQ to use MTYP NDOM FERA HELI

Symbolic parameters used

SY+1 set to 49 dimensioning MTSYM MSTAB OTRSYM

Common Block SYMREP

Specification

COMMON /SYMREP/REP(9,49),AKVEC(3),LREP(49),NREP,IVEC,ANORM,NOPS,
&NOPP,NCSTAR,TREP(49,2,2)
COMPLEX REP,TREP

Description

Symmetry representations

Symbolic parameters used

SY+1 set to 49 dimensioning REP LREP TREP

Common Block SYMTAB

Specification

COMMON /SYMTAB/MULTAB(48,48),INVERS(48),NORD(48),IGEN(3),KOM22

Description

Symmetry tables for the space group
MULTAB the multiplication tables
INVERS tables of inverse elements
NORDorder of each element
IGEN(3) list of generating elements

Declared by

ADDELM to use MULTAB
ATOPOS to use NORD
CHITRN to use NORD
DOCHI1 to use
FACGRP to use MULTAB
FCHALC to use
FMCALC to use MULTAB
FMMPCA to use MULTAB
GENELM to use MULTAB
GENGRP to use MULTAB
LMCALC to use MULTAB
LMMPCA to use MULTAB
LMTCAL to use MULTAB
MAGCON to use
MAGDOM to use NORD
MAGSYM to use MULTAB INVERS NORD
MAKGRP to use MULTAB NORD
MPCON to use INVERS NORD
NORDER to use MULTAB
OPSYM to use INVERS
POLUNI to use NORD
PROPAG to use NORD
ROTOSM to use INVERS
ROTSYM to use INVERS
SUBSYM to use MULTAB INVERS NORD IGEN
SYMBAK to use MULTAB INVERS NORD IGEN
SYMGEN to use IGEN
SYMREF to use INVERS
SYMTID to use MULTAB INVERS NORD IGEN
SYMUNI to use INVERS NORD
TCHALC to use
ARISNP to use MULTAB INVERS NORD
ARRINC to use MULTAB INVERS
TCHMPC to use

Symbolic parameters used

SYMO set to 48 dimensioning MULTAB MULTAB INVERS NORD

Contents Next Manual
P. Jane Brown

Institut Laue Langevin,
Grenoble, FRANCE