0 Only summary results are printed (with possible control from the ‘no-print’ option).
1 The eigenvalues and the M. O. coefficients are printed at the end of the SCF.
2 Same as IOp(5/33)=1, but additionally the density matrix is printed.
3 Same as IOp(5/33)=2, but at the end of each iteration.
4 Same as IOp(5/33)=3, but all matrix transactions are printed (Beware: Lots of output.)
然后看见在输出轨道能量和系数之后有一个-W 以为是密度矩阵
然后我重新用了iop5/33=3,然后最后输出了Final Density Matrix(应该是alpha和beta的密度矩阵)和 Total Density Matrix(应该是总密度矩阵)
以及-W
其中Total Density Matrix与Multiwfn读取fchk输出的密度矩阵一致
那么请问-W后面的矩阵是什么呢?