[Pw_forum] enthalpy in damped dynamic
amin.torabi at gmail.com
Sun May 29 05:51:20 CEST 2011
When I use bfgs algorithm for ion_dynamics in vc-relax calculation, the
enthalpy is calculated and can be found in the output file. However, it
seems that no enthalpy information is provided when damped dynamics are
used. Why is it so?
Thanks in advance,
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