Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Computation of hydrogen adsorption is becoming too slow.
I am trying to study hydrogen adsorption on a nanocluster (under DFTD). But as I am increasing the number of H2 molecules (infact it is struggling with 2nd molecule itself), it is becoming very slow and almost very difficult to compute. I am using "NONVDW" to avoid optimization collapse.
Please suggest me what can be done to speed up the computation of such systems.
Thu Jul 6 '17 8:58am
This message read 364 times