Dear All mpqc users:
Well, I am writing you because I am a very new user of MPQC. The point is that I would like to know if it is possible to change the number of iterations to more than 100 in order to make a job converge. I am sending you the input data aiclrad5hf. in and the output data airclrad5hf.log as an attach file, Thank you very much for your attention and I shall be looking forward to your answer at your earliest convenience,
With My best Regards,
Adriana Olleta,
Dra. Adriana C. Olleta,
Cátedra de Química Computacional,
Planta Piloto de la Facultad de Ingeniería,
Universidad Nacional de Jujuy (UNJu),
Avda. Italia esquina Martiarena, San Salvador de Jujuy.
CP: 4600, Argentina,
Teléfono: 54-388-154768579,
e-mail: aolleta@fi.unju.edu.ar
Anonymous