[CP2K-user] Automatically neutralize a charged system in the SP calculation
Tong Zhu
z5476... at gmail.com
Mon Jun 15 01:59:08 UTC 2020
Dear all,
We want to perform single-point calculation for a charged periodic system.
However, the system is too small that we don't want to add explicit
neutralized charges. Can CP2K apply a homogeneous neutralizing background
charge with opposite sign in the cell automatically?
Thank you very much for your help!
Best,
Tong
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