Extracting Hessian Matrix from OUTCAR file
Posted: Mon Sep 03, 2018 2:22 pm
Hello
I performed a series of vibrational calculation in VASP using IBRION=5, and now i am looking for tools to extract the hessian matrix from the OUTCAR file i generated, in order to calculate thermodynamics properties. My question is two fold, are there script(s) for such task? and if so does one have to compile vasp code using vtst in order to use them?
Thanks
I performed a series of vibrational calculation in VASP using IBRION=5, and now i am looking for tools to extract the hessian matrix from the OUTCAR file i generated, in order to calculate thermodynamics properties. My question is two fold, are there script(s) for such task? and if so does one have to compile vasp code using vtst in order to use them?
Thanks