Hello,
More input is needed
1. What TM version do you use?
2. Is there any error message from Statpt?
3. Are you sure that you use dscf and then egrad? You should use
escf ...
4. Does Statpt work when you run just normal optimization (dscf/grad)?
Thank for your attention.
1. the version 5.7.1 TM was uesd to do these work.
2. I am sorry for that I can't obtain any error hints now. After that I use the Cartesian coordinate to optimize the excited state structure. I may be post the error message in the future .
3. I am sure I use dscf and egrad. Because I use the program for the excited state optimization.
4. The jobex with statpt is very speed and perfect for the ground state sturcture optimization. As you mentioned above, the dscf and grad module are invoked.