FBIAS_R0

FBIAS_R0 = [real (array)]

Description: The parameter FBIAS_R0 defines the half-step position ( $\xi_{0\mu}$ ) for the Fermi-like step-shaped bias potential of the following form:

${\displaystyle \tilde{V}(\xi_1,\dots,\xi_{M_4}) = \sum_{\mu=1}^{M_4}\frac{A_{\mu}}{1+\text{exp}\left [-D_{\mu}(\frac{\xi(q)}{\xi_{0\mu}} -1) \right ]} \; }$ $where the sum runs over all (<math>M_4$ ) coordinates the potential acts upon, which are defined in the ICONST-file by setting the status to 4. The units of $\xi_{0\mu}$ correspond to units of the coordinate the potential acts upon (e.g., ${\AA}$ for coordinates with flag R, $rad.$ for coordinates with flag A, dimensionless for coordinates with flag W, etc...). The number of items defined via FBIAS_R0 must be equal to $M_4$ , otherwise the calculation terminates with an error message.

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