7.2.2 crash in calculation of "Magnetic Moment"
Posted: Wed Oct 23, 2013 3:25 pm
I run abinit to calculate energies for magnetic compound of Fe4N. The real Magnetization value should be around 8[bohr magneton] in relaxed structure, but abinit calculates different values for "Magnetization" with the same input file: sometimes around 8 and sometimes very near to 0.
Need help
Need help