Dear sir,
I need the solution how can I simulate a surface extended in 'b' and 'c' lattice directions with kspacing 0.12.
I know the method for a solid as we can use kspacing tag with that. But In case of surface how can I use that tag as there should be no sampling of kspace in the 'a'-direction.
Please help.
simulation of surface with a given kspacing
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shyam
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simulation of surface with a given kspacing
Last edited by shyam on Thu Dec 26, 2013 3:00 pm, edited 1 time in total.
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admin
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simulation of surface with a given kspacing
please read some basic textbooks about solid state physics and consider yourself whether it makes sense to use more that 1 k-point along the direction corresponding to the surface normal
[ Edited Wed Jan 15 2014, 12:40PM ]
[ Edited Wed Jan 15 2014, 12:40PM ]
Last edited by admin on Wed Jan 15, 2014 12:39 pm, edited 1 time in total.