How to set kpoints file in simulation of surfaces.
Posted: Tue Dec 24, 2013 3:56 pm
Dear sir,
I have to simulate a surface extended in y and z direction for a given kspacing 0.12/angstorm.
For a solid i can use kspacing tag.
But What should i do in this case as i have to take no sampling in x-direction and 0.12/angstorm kspacing in y and z direction. Please help.
I have to simulate a surface extended in y and z direction for a given kspacing 0.12/angstorm.
For a solid i can use kspacing tag.
But What should i do in this case as i have to take no sampling in x-direction and 0.12/angstorm kspacing in y and z direction. Please help.