[Pw_forum] Negative starting charge for Zr USPP

[Mostafa Youssef]

As an update for the issue of negative charge for Zr USPP; I tested few other PP's which include nonlinear core corrections. Out of many of these PP's, I found the one provided in the PSLIB to be free from the problem of negative charge.


Mostafa Youssef
MIT
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