[CP2K-user] [CP2K:16961] Change hydrogen mass for molecular dynamics

Raghav raghavsaxena24 at gmail.com
Fri May 13 02:33:27 UTC 2022


Dear cp2k community,

Is it possible to change mass of hydrogen to that of deuterium or tritium 
for AIMD simulations? I want to use heavier hydrogen isotopes to leverage 
larger time step.

Best Regards,
Raghav Saxena

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