标题: orca计算S1与T1的自旋轨道耦合常数报错Rebuilding of the RPA subspace failed [打印本页] 作者Author: 498746012 时间: 2019-4-27 14:40 标题: orca计算S1与T1的自旋轨道耦合常数报错Rebuilding of the RPA subspace failed 各位老师好！
想请教一下：我用orca计算S1与T1的自旋轨道耦合常数结果报错，Rebuilding of the RPA subspace failed because there are no old eigenvectors，这该如何解决？输入文件如下
! b3lyp/G TZVP miniprint tightSCF grid4 pal4
%tddft
nroots 3
dosoc true
tda false
printlevel 3
end
* xyz 0 1