Dear all, 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, Amin -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110528/ae0ef0d3/attachment.htm
