<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Dear all,</div><div><br data-mce-bogus="1"></div><div>I am trying to perform calculations for a charged system with assume_isolated = "esm" and using a vacuum/metal boundary condition (esm_bc='bc3').</div><div>However, I am confused regarding how to choose the position offset for the start of the effective screening region (esm_w).</div><div>Some preliminary calculations by varying esm_w suggests that the results (for eg. the electrostatic potential on the vacuum side, magnitude of the bias applied to the surface, etc.)</div><div>strongly depends on the choice of the "esm_w" variable.</div><div><br data-mce-bogus="1"></div><div>Can anyone please suggest how to choose an optimal value of "esm_w"?</div><div><br data-mce-bogus="1"></div><div>Thanking you in advance.</div><div><br data-mce-bogus="1"></div><div>With regards,</div><div><br data-mce-bogus="1"></div><div>Prasenjit Ghosh</div><div>IISER Pune</div></div></body></html>