使用MAE算例中的参数,计算Ni的磁各向异性能时,有警告计算出的应力和力可能不可靠,读取电荷密度失败;最后计算出的MAE与算例中的相差2倍左右。 WARNING: stress and forces are not correct POSCAR,
INCAR and KPOINTS ok, starting setup FFT:
planning ... GRIDC FFT:
planning ... GRID_SOFT FFT:
planning ... GRID WAVECAR not read charge-density read from file: unknown
magnetization density read from file 1 entering main loop
请问这是什么原因