SECOND DERIVATIVES (SYMMETRYZED) and MASS-WEIGHTED SECOND DERIVATIVE
Posted: Mon Dec 20, 2010 7:56 pm
I am doing finite difference method and I used all the suggested parameters(from previous forum) but I am not getting the following in the OUTCAR file. Can anyone tell me how to print the "SECOND DERIVATIVES (SYMMETRYZED)" and "MASS-WEIGHTED SECOND DERIVATIVES" part in the OUTCAR file. I am only getting "SECOND DERIVATIVES (NOT SYMMETRYZED)" part in the OUTCAR file? Thanks in advance.