howto:static_calculation
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| howto:static_calculation [2018/07/09 14:48] – 137.205.23.185 | howto:static_calculation [2019/03/10 22:24] – [Running the Calculation] 157.193.1.193 | ||
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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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1