<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hello,<div class=""><br class=""></div><div class="">with BoltzTraP2 you can _not_ get the carriers concentration but you can fix it to have the properties with respect to temperature. </div><div class="">You can neither get the relaxation time, but again you should be able to define it a posteriori or even maybe before the calculation (in the input file) for the program to account for it.</div><div class=""><br class=""></div><div class="">Best,</div><div class=""><br class=""><div class="">
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<div><br class=""><blockquote type="cite" class=""><div class="">Le 5 juin 2020 à 10:02, Nileema Sharma <<a href="mailto:nileemasharma012@gmail.com" class="">nileemasharma012@gmail.com</a>> a écrit :</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div dir="ltr" class=""><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Dear developers and users</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">For thermoelectric calculations I want to find "effective mass" of carriers. Is there any way I can calculate it using band-structures (by fitting a polynomial equation), since it is related to the second derivative of energy w.r.t. k. Or else, can we get carrier concentration and carrier's scattering time in BoltzTrap?</div><div class=""><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><font face="georgia, serif" class="">Best regards.</font><div class=""><font face="georgia, serif" class="">Thank you!!</font><div class=""><font face="georgia, serif" class="">Nileema Sharma</font></div></div></div></div></div></div>
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