bravais vectors for Tio2 101 plane
Posted: Thu Aug 05, 2010 11:32 am
I am trying to run VASP to calculate surface energies for Tio2 101 plane using VASP. How do I compute the bravais vectors for the POSCAR file? Help please. I used some vector algebra to create the vector but VASP just hangs while checking the POSCAR file for days. I am doing something incorrect. Help is greatly appreciated.