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.
How to set kpoints file in simulation of surfaces.
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shyam
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How to set kpoints file in simulation of surfaces.
Last edited by shyam on Tue Dec 24, 2013 3:56 pm, edited 1 time in total.
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sanghongqian
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How to set kpoints file in simulation of surfaces.
Do not set kspacing tag in INCAR and use KPOINTS file. Please read the manual.
Last edited by sanghongqian on Tue Dec 31, 2013 3:20 pm, edited 1 time in total.