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the dimensions of the array. This is a tuple of integers indicatingthe size of the array in each dimension. For a matrix with n rowsand m columns, shape will be (n,m). The length of theshape tuple is therefore the number of axes, ndim.

Often, the elements of an array are originally unknown, but its size isknown. Hence, NumPy offers several functions to createarrays with initial placeholder content. These minimize the necessity ofgrowing arrays, an expensive operation.

When arange is used with floating point arguments, it is generallynot possible to predict the number of elements obtained, due to thefinite floating point precision. For this reason, it is usually betterto use the function linspace that receives as an argument the numberof elements that we want, instead of the step:

In general, for arrays with more than two dimensions,hstack stacks along their secondaxes, vstack stacks along theirfirst axes, and concatenateallows for an optional arguments giving the number of the axis alongwhich the concatenation should happen.

Sometimes copy should be called after slicing if the original array is not required anymore.For example, suppose a is a huge intermediate result and the final result b only containsa small fraction of a, a deep copy should be made when constructing b with slicing:

Note that the length of the 1D boolean array must coincide with thelength of the dimension (or axis) you want to slice. In the previousexample, b1 has length 3 (the number of rows in a), andb2 (of length 4) is suitable to index the 2nd axis (columns) ofa.

Interpolate the data using spline and plot the results. Specify the second input with two extra values [0 y 0] to signify that the endpoint slopes are both zero. Use ppval to evaluate the spline fit over 101 points in the interpolation interval.

If y is a matrix or array, then the values in the last dimension, y(:,...,:,j), are taken as the values to match with x. In that case, the last dimension of y must be the same length as x or have exactly two more elements.

You also can perform spline interpolation using the interp1 function with the command interp1(x,y,xq,'spline').While spline performs interpolation on rows ofan input matrix, interp1 performs interpolationon columns of an input matrix.

Optional card. Adds a list of k-points with zero weight, after those used forthe scf calculation. When doing an EXX calculation and nq1x, nq2x or nq3x aredifferent from one, also include the required k+q points. The main use of thiscard is to do band plots with EXX. 2b1af7f3a8

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