[Wien] symmetry reduction and density matrix inverted

[王静]

hi，Xavier
  The strategy you suggested (initialize the calculation, then invert the magnetic moments in case.inst and
directly start GGA+U without a GGA calculation step) had been performed. The magnetic moments of A ions were converged to be antiparallel but that of B ions were parallel. This method may be work in other cases but not this one.
  Thanks very much!     
  

	


　　　　　　　　wangjingjing at ciac.jl.cn
　　　　　　　　　　2011-05-03