<div dir="auto"><div>I really think such questions are inappropriate for this list. If you have general physics questions such as this, you should ask on some appropriate list.</div><div dir="auto"><br></div><div dir="auto">This list is an appropriate place for real problems with using Wien2k.<br><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Sat, Apr 18, 2020, 08:33 Dr. K. C. Bhamu <<a href="mailto:kcbhamu85@gmail.com">kcbhamu85@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-size:large">Dear Experts,<br clear="all"></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Could you please confirm that if I have temperature dependent lattice parameters, from DFT calculation, then whatever properties like band, phonon, elastic, ... , I compute will be considered as temperature dependent ?<br></div><div class="gmail_default" style="font-size:large">Yes, ionic positions should be relaxed what I know.</div><div class="gmail_default" style="font-size:large">My own answer would be yes for this query but I need a confirmation.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">It would be a help from computational resources point of view. I do not want to test the calculation and see the the difference as system is more computational time demanding.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Thank you very much.</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Regards</div><div class="gmail_default" style="font-size:large">Bhamu</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large"><br></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!GRUj1pN4IwCnApRvu6jaYERxdhm3FHToVAls2nKQZOdCzklR_qLnsSwk3QRssfgfG3SCxg$" rel="noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!GRUj1pN4IwCnApRvu6jaYERxdhm3FHToVAls2nKQZOdCzklR_qLnsSwk3QRssfgfG3SCxg$</a> <br>
SEARCH the MAILING-LIST at:  <a href="https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!GRUj1pN4IwCnApRvu6jaYERxdhm3FHToVAls2nKQZOdCzklR_qLnsSwk3QRssfhViYqsww$" rel="noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!GRUj1pN4IwCnApRvu6jaYERxdhm3FHToVAls2nKQZOdCzklR_qLnsSwk3QRssfhViYqsww$</a> <br>
</blockquote></div></div></div>