Dear Sir,
For what we use this input? I have not given this input in my previous run.
Will you please brifly explain me it's role in calculation.
Thak you Sir.
Vikas Thakur
Marcel Mohr <[EMAIL PROTECTED]> wrote: In addition your k-point grid looks
strange
siesta: k-grid: 0 0 8 0.500
siesta: k-grid: 0 2 0 0.500
siesta: k-grid: 2 0 0 0.500
maybe try something like
siesta: k-grid: 1 0 0 0.000
siesta: k-grid: 0 1 0 0.000
siesta: k-grid: 0 0 30 0.000
you only need k-points along the axis.
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