<div dir="ltr"><div>I mentioned in q2r calculation...<br><br>             fildyn = 'calc.dyn'<br>               zasr = 'crystal'  <br>               flfrc = 'calc.fc'<br><br>               <br></div>Else, plz you suggest, where ' crystal coordinates for the points ' should apply.<br><br><br><br>Thanks andregards<span class="gmail-im"><div><div class="gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-yj6qo gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-ajU"><div><img src="https://ssl.gstatic.com/ui/v1/icons/mail/images/cleardot.gif" class="gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-ajT gmail-m_-4763888770721168713gmail-CToWUd gmail-CToWUd"><span class="gmail-m_-4763888770721168713gmail-HOEnZb gmail-m_-4763888770721168713gmail-adL"><font color="#888888"><span class="gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-HOEnZb gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-adL"><font color="#888888"><span class="gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-m_7207520324083269327gmail-HOEnZb gmail-m_-4763888770721168713gmail-m_-3194015923602978644gmail-m_7207520324083269327gmail-adL"></span></font></span></font></span>Neelesh Gupta</div></div></div></span><br><br><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jan 24, 2018 at 1:22 PM, Lorenzo Paulatto <span dir="ltr"><<a href="mailto:paulatz@gmail.com" target="_blank">paulatz@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class=""><br>
<br>
On 24/01/18 08:05, NEELESH GUPTA wrote:<br>
> The results of phonon dispersion is not correct. I am unable to find the<br>
> the correct....<br>
<br>
</span>it looks to me like your path of q-points is not correct. Probably you<br>
used crystal coordinates for the points but did not specify it in the<br>
input, or the other way round<br>
<br>
hth<br>
<span class="HOEnZb"><font color="#888888"><br>
--<br>
Lorenzo Paulatto - Paris<br>
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