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Common Block QCAL

Specification

COMMON /QCAL/Q(3,24)
COMPLEX Q


Description

Magnetic interaction vector for each domain

Declared by

CALCFR to use
CALCMG to use
CALPOL to use
FCHALC to use
FMCALC to use
FMMPCA to use
LMCALC to use
LMMPCA to use
CALQSF to use
LCHALC to use
GETMSF to use
MAGPOW to use

Symbolic parameters used

DOMS set to 24 dimensioning Q

Common Block QCALD

Specification

COMMON /QCALD/FQCDER(3,24,100)
COMPLEX FQCDER


Description

Derivatives of Magnetic interaction vector for each domain with
respect to family 2 parameters

Declared by

CALCFR to use all members
CALCMG to use all members
CALPOL to use all members
LMCALC to use all members
LMMPCA to use all members
LCHALC to use all members

Symbolic parameters used

DOMS set to 24 dimensioning FQCDER

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

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P. Jane Brown e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE