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posted by EW at Apr 5, 2017 4:36 PM
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When I use reflective boundary conditions, the total energy of my electrons is negative. Is that normal?
posted by Sébastien Hess at Jan 31, 2017 1:23 PM
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Depending on your problem you can play with boudary conditions to have faces with reflective or periodic conditions. It is explained in section 3.6 of SPIS-DUST user manual

Sébastien

posted by Alexandru Cornogolub at Oct 21, 2016 11:33 AM
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Hi is there a way to simulate 2D problems and take into account different symmetries?

Alex