howto:static_calculation
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===== Introduction ===== | ===== Introduction ===== | ||
In this tutorial, we are going to show the reader how to perform a | In this tutorial, we are going to show the reader how to perform a | ||
- | simple static self-consistent Kohn-Spam Density Functional Theory | + | simple static self-consistent Kohn-Sham Density Functional Theory |
energy and force calculation on a system using '' | energy and force calculation on a system using '' | ||
Line 398: | Line 398: | ||
to start completely from afresh, they must delete '' | to start completely from afresh, they must delete '' | ||
before running a new calculation. | before running a new calculation. | ||
- | |||
===== Obtaining the Results ===== | ===== Obtaining the Results ===== |
howto/static_calculation.1531147719.txt.gz · Last modified: 2020/08/21 10:15 (external edit)