High-precision sampling for Brillouin-zone integration in metals
We present a sampling method for Brillouin-zone integration in metals which converges exponentially with the number of sampling points, without the loss of precision of normal b...
We present a sampling method for Brillouin-zone integration in metals which converges exponentially with the number of sampling points, without the loss of precision of normal b...
The total energy of the 3d transition metals is calculated as a function of volume in each of six different crystal structures. The calculations employ the local-density-functio...
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