The compilation of this ancillary program of the amarcord suite
is the same as for the other programs:
./configure
make
will create the program rotazione in the source directory.
Eventually you may install to a target directory by the command
make install
However this program is meant to be used just now and then to get the matricial form
of the crystalline potential, and it has to be recompiled each time you want to
treat a different geometry :
the neighbouring atoms positions go in this fragment of code
X-----------------------------------------------------------------------
/*
specify here the position of the Neighbouring atoms.
npunti is their number.
peso is the array of weights.
psi is the array of azimuth
theta is the array of zenith ( 0 means vertical )
*/
double Theta =asin( sqrt(2.0)/sqrt(3.) );
double theta[]= { Theta,Theta,M_PI-Theta,M_PI - Theta};
double psi []= { M_PI/4, 5*M_PI/4, 3*M_PI/4, 7*M_PI/4 };
double peso[]= { 1,1,1,1 };
int npunti=4;
X-----------------------------------------------------------------------------
When you run the program the crystalline potential matrix for the d shell is printed on the standard output.