MS计算failed：
在3D atomistic.castep文件中发现：
Info: number of up-spin electrons is not equal to the
number of down-spins but spin_polarized=false
- consider setting spin_polarized=true.
number of up spins : 130.0
number of down spins : 129.0
treating system as non-spin-polarized
MPI Application rank 0 exited before MPI_Finalize() with status 1
mpid: MPI BUG: mpid lost connection to mpirun: exiting
我计算的是非磁性材料，在设定的时候没有勾选spin polarized，
为什么会出现这样的问题呢？怎么办？
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