Monkhorst - Pack mesh with a k-spacing of 0.12/ Ǻ
Posted: Wed Dec 18, 2013 10:22 am
Dear All
I am new user of VASP. In one of my calculations for geometry optimization, I am using Monkhorst - Pack mesh of 9*5*10. Now I want to do the optimization for a series of jobs with continuously decreasing volume of cell. But I am confused what to define in INCAR to continuously change the mesh with cell size e.g. 0.12/angstrom.
Can anyone please help me for this?
Vipin
I am new user of VASP. In one of my calculations for geometry optimization, I am using Monkhorst - Pack mesh of 9*5*10. Now I want to do the optimization for a series of jobs with continuously decreasing volume of cell. But I am confused what to define in INCAR to continuously change the mesh with cell size e.g. 0.12/angstrom.
Can anyone please help me for this?
Vipin