ABINIT Discussion Forums

As shown in attachment, the first coordinate index 'x' changes most slowly. It is clear, however, the second 'y' and third 'z' coordinate indices vary synchronously at the beginning, and then by the uncertain sequence. As a result, we have no an ordered set of indices x, y, z, necessary for further ...

Dear authors of the package! Please indicate on what basis (algorithm) the grid of the coordinates for tabulating the potential and the wave function (real and imaginary parts) is formed. To obtain the potential I used the choice "4,6,8", for the wave function I used the choice "4,5,7...