In order to visualized magnetic moment fluctuations and to calculate neutron intensities in dipole approximation the external single ion module has to provide the transition matrix elements of the magnetic moment operator in units of by the vector , which is given by: .
The format to be used is:
extern "C" int dm1(int & tn,double & T,Vector & Hxc,Vector & Hext,double * g_J,Vector & MODPAR, char ** sipffilename,ComplexVector & m1,float & maxE, ComplexMatrix & est)
The meaning of the symbols is as follows:
on input |tn| transition-number sign(tn) >0 standard, <0 routine should do some printout to stdout for user information MODPAR Vector with Parameters read in single ion property file sipffilename file name of the single ion parameter file g_J Lande factor T Temperature[K] Hxc vector of exchange field [meV] (can be n-dimensional, for a set of n operators) Hext external magnetic field [T] est eigenstate matrix (initialized by estates) it should/may also contain population numbers of the states (imaginary part of row 0) and eigenvalues (real part of row 0) with values set by the most recent call for this ion (use of this matrix is optional) u1(1) ninit + i pinit (from mcdisp options -ninit and -pinit) maxE upper boundary for transition energy (meV) to be considered (from mcdisp option -maxE) on output int total number of transitions u1 transition matrix element vector m1=<-|m-<m>|+>sqrt((n- - n+))The module function must perform the following tasks:
Martin Rotter 2017-01-10