<div dir="auto">You would need to modify the run**_lapw scripts by hand. That is not hard to do if you understand coding basics, but it is unlikely that anyone will spring to help you without a good reason.<div dir="auto"><br></div><div dir="auto">N.B., Calculations with a frozen core do not converge faster, so unless there is some other reason it is hard to justify them as the program to calculate the core states (lcore) is very fast.<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></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Aug 9, 2020, 04:44 Shamim Sk <<a href="mailto:shamimsk20@gmail.com">shamimsk20@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="auto">Dear Prof. P. Blaha & WIEN2k Community,<div dir="auto"><br><div dir="auto">During the self consistent field (scf) calculation, is it possible to keep the core energy fixed? </div><div dir="auto"><br></div><div dir="auto"><br></div><div dir="auto">Regards,</div><div dir="auto">Shamim Sk,</div><div dir="auto">Senior Research Fellow,</div><div dir="auto">IIT Mandi, INDIA</div></div></div>
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