EGRID

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EGRID
grid_type1 grid_min1 grid_max1 grid_step1
grid_type2 grid_min2 grid_max2 grid_step2
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grid_type10 grid_min10 grid_max10 grid_step10
<pre>
This card can be used to customize the energy grid. The EGRID card is followed by lines
specifying the type of grid, minimum and maximum values for the grid, and the grid step, i.e.
<pre>
grid_type grid_min grid_max grid_step

The grid type parameter is a string that can take the values e grid, k grid, or exp grid. When using the e grid or k grid grid types, grid min, grid max, and grid step are given in eV or inverse angstroms respectively. For the exp_grid type, grid min and grid max are the minimum and maximum grid values in eV , and grid step is the exponential, i.e. Ei = EMin + exp(grid_step * i) − 1. A fourth grid type user grid is also available. user grid is followed by an arbitrary number of lines, each specifying an energy point in eV , i.e.,

user_grid
0.1
1.5
3.45
6.0
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Note that the energies are all defined relative to the Fermi energy, i.e. the edge. Up to ten grids can be specified. The grids can also overlap. If one is using multiple grid types, a usefull parameter last can be used in place of grid min, i.e

e_grid -10 10 0.1
k_grid last 10 0.1

The last parameter will use the last point of the previous grid as grid_min.

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