Similar to the previous bug with curry and spin orbit coupling. Using curry to calculate magnetization at low temperature of a dimeric system.
However when orbital angular momentum is introduced, curry gives a non-zero magnetization at zero field; even if the orbital angular momentum is given as zero.
i.e.
Code: Select all
clear
Sys.S=[1/2,1/2] %
Sys.L=[0 0]
Sys.soc=[unitconvert(0,'cm^-1->MHz') 0]
Sys.J=unitconvert(0,'cm^-1->MHz')
Expt.Field=[0:100:5000]
Expt.Temperature=5
curryOpt.Output='muBM'
curryOpt.Units='CGS'
M=curry(Sys,Expt,curryOpt)
plot(Expt.Field,M)gives M=-2 at zero field, but if I comment out the lines defining Sys.L and Sys.soc then M at zero field is the expected value of zero.