Pseudopotential with linear grids does not work

RMGDFT / rmgdft

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

GNU General Public License v2.0

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Pseudopotential with linear grids does not work #29

Closed WenchangLu closed 5 years ago

WenchangLu commented 5 years ago

When the radial grid is linear for pseudopotential, the code does not initialize correctly.

WenchangLu commented 5 years ago

It turns out the problem in pseudopotential is not due to the linear radial grid in xml format. A few bugs fixed for xml pseudopotential format.