On Tue, 2 Dec 2003, Sergey Lisenkov wrote:
| DEar Prof. Soler,
|
| Thank you for your reply. Bu I cannot understand: Does SIESTA calculate the
| real total energy? In most paper I see that authors compare total energy per
| atom (for example, for carbon) with experimentasl results. How did they
DEar Prof. Soler,
Thank you for your reply. Bu I cannot understand: Does SIESTA calculate the
real total energy? In most paper I see that authors compare total energy per
atom (for example, for carbon) with experimentasl results. How did they
obtain it? I checked it dor C-diamond, in the file
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