howto:resp
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| howto:resp [2015/12/08 10:16] – [Nonperiodic fitting] dgolze | howto:resp [2015/12/08 12:32] – [Periodic fitting] dgolze | ||
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| \end{equation} | \end{equation} | ||
| where $g_a$ is a Gaussian function centered at atom $a$. The periodic fitting is embedded in a Gaussian and plane waves (GPW) framework and described in detail in | where $g_a$ is a Gaussian function centered at atom $a$. The periodic fitting is embedded in a Gaussian and plane waves (GPW) framework and described in detail in | ||
| - | * [[doi> | + | [[doi> |
| - | In the periodic case, CP2K offers also the possibility to fit the variance of the potential instead of the absolute values, see below. | + | In the periodic case, CP2K offers also the possibility to fit the variance of the potential instead of the absolute values, see [[resp# |
| ===== Basic input ===== | ===== Basic input ===== | ||
howto/resp.txt · Last modified: 2024/01/15 09:24 by oschuett