Bug fix in setting the number of electrons in kcp in spin-polarized calculations #223
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also others). The general parameters given outside a specific calculator block were not properly used to set up the input files.
nscolonna
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elinscott
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Jun 13, 2024
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The general parameters given outside a specific calculator block in the input json file, e.g.
tot_magnetization, were not properly used to set up the input files of kcp.x. This leads to a wrong set up of the number of electrons up and down in the kcp.x input files.