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<body>The phonon code needs the wave functions at each k+q point. Kind regards <br><br><div class="gmail_quote">On February 27, 2023 7:45:25 a.m. GMT+01:00, KRISHNENDU MUKHERJEE <krishnendu@nmlindia.org> wrote:<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
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</style><div><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;"> </p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">Dear pw-user,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;"><br></p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">I note that during ph.x calculation, electronic band structure is calculated for each q. Can you please let me know why? I guess the probable reason could be that, it is important to know the Fermi energy surface to calculate the phonon dispersion.</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;"><br></p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">Thank you,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">Regards,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">Krishnendu Mukherjee, Ph.D.,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">Principal Scientist,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">CSIR-NML,</p><p style="margin: 0px; line-height: 100%;" data-mce-style="margin: 0px; line-height: 100%;">India.</p><br></div><div data-marker="__SIG_PRE__"></div></div>
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