<div dir="ltr"><div>Thanks, can you guide me how I  can calculate T-dependent corrections of the band edges (Eq. 4 and 5).</div><div><br></div><div>All the best,</div><div>Elham<br></div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jan 21, 2020 at 4:27 AM Patrick Gono <<a href="mailto:patri...@gmail.com">patri...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Elham,</div><div><br></div><div>I recommend the work by Guo et al. where the band alignment at the semiconductor water interface is studied in detail:</div><div><a href="https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.7b02619" target="_blank">https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.7b02619</a></div><div><br></div><div>Yours sincerely,</div><div>Patrick Gono<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 20 Jan 2020 at 11:07, Elham M.Goliaei <<a href="mailto:e.go...@gmail.com" target="_blank">e.go...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Hi Matthias,</div><div><br></div><div>   I wanna calculate band alignment of a semiconductor and band alignment at the semiconductor-water interface, can you guide me how to calculate.</div><div><br></div><div>All the best,</div><div>Elham<br></div><div><span style="font-size:10.2025px;font-family:serif"></span><span style="font-size:10.2025px;font-family:serif"></span><span style="font-size:10.2025px;font-family:serif"></span><span style="font-size:10.2025px;font-family:serif"></span><span style="font-size:10.2025px;font-family:serif"></span><span style="font-size:10.2025px;font-family:serif"></span><br><span style="font-size:11pt;font-family:"Calibri",sans-serif;color:rgb(31,73,125)" lang="EN-GB"></span></div></div>

<p></p>

-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/408361f6-4639-4338-b63f-ace47ceeabfe%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/408361f6-4639-4338-b63f-ace47ceeabfe%40googlegroups.com</a>.<br>
</blockquote></div>

<p></p>

-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAPL1_v-DETREjQUWmFAA26%2BLXxj%3DEdgf%2BCqibn4NOS44QHqpNw%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAPL1_v-DETREjQUWmFAA26%2BLXxj%3DEdgf%2BCqibn4NOS44QHqpNw%40mail.gmail.com</a>.<br>
</blockquote></div>