nazari at iasbs.ac.ir wrote: > Spin polarized calculation of pt4 cluster with Td symmetry with > Nalpha-Nbeta = 2 gives Total magnatization 2 and Absolute > magnetization equal to 3. [...] > How we can interperate the Absolute magnetization equal 3.
integrated polarization: 2.5 electrons up, 0.5 electrons down > Is it correct? "correct" in the sense that the calculation is correctly performed? liklely it is "correct" in the sense that the result is close to physical reality? hard to say, especially with spin-polarized DFT ... P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
