---

Common Block QCAL

Specification

COMMON /QCAL/Q
COMPLEX Q(3,24),TCALC(6)
EQUIVALENCE (Q,TCALC)


Description

Q Magnetic interaction vector for each domain
TCALC Tensor stucture factor for anisotropic paramagnets

Declared by

CALCFR to use
CALCGM to use
CALCMG to use
CALCPA to use
CALMMG to use
CALPOL to use
CALPOW to use
FCHALC to use
FMCALC to use
FMMPCA to use
LMCALC to use
LMMPCA to use
LMTCAL to use
PRJECT to use
TCHALC to use
CALQSF to use
GETMSF to use
MAGPOW to use
TCHMPC to use

Symbolic parameters used

DOMS set to 24 dimensioning Q

Common Block QCALD

Specification

COMMON /QCALD/FQCDER
COMPLEX FQCDER(3,24,200),FTCDER(6,200)
EQUIVALENCE (FQCDER,FTCDER)


Description

Derivatives of Magnetic interaction vector for each domain with
respect to family 2 parameters
FTCDER derivatives of tensor structure factor

Declared by

CALCFR to use all members
CALCGM to use
CALCMG to use
CALCPA to use all members
CALMMG to use all members
CALPOL to use all members
CALPOW to use
LMCALC to use all members
LMMPCA to use all members
LMTCAL to use all members
PRJECT to use
TCHALC to use
TCHMPC to use

Symbolic parameters used

DOMS set to 24 dimensioning FQCDER
F2VA set to 200 dimensioning FQCDER FTCDER

Common Block QROT

Specification

COMMON /QROT/ROT(3,3,20)


Description

Matrix relating quantum to orthogonal crystallographic axes for
each multipole atom

Declared by

MPCON to use all members
PFORMF to use all members
READRT to use all members

Symbolic parameters used

MPAT set to 20 dimensioning ROT

---

---

P. Jane Brown

Institut Laue Langevin,
Grenoble, FRANCE