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Yes, it concerns the unit cell only and entails a uniformly distributedcompensation charge to neutralize the cell for the Ewald summation.Best,
Thomas
Am 02.11.2020 um 17:36 schrieb Dev Rana <dev....@gmail.com>:
How does CP2K handle CHARGE in Periodic boundary conditions?I would expect a case such as this to be an infinitely charged system, but would like to verify if this is true for CP2K or does it intelligently only apply it to the original unit cell?Thank you!--
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