Hello everyone
I am using one program called sTDA which is compatible with turbomole orbitals.
I was performing a calculation using this programm. However, I have a problem when the program tries to solve the eigenvalues matrix.
This is a extract of the problem
selecting CSF ...
average/max PT2 energy lowering (eV): 0.018 0.170
2069 CSF included by PT.
2923 CSF in total.
sTD-DFT procedure...
setting up A+B and A-B matrices
calculating (A-B)^0.5 ...
estimated time (min) 1.04
matrix power impossible
is there somebody can help me?
Thanks in advance