<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>It is true that "open core" is an old method, and we can now use other more advanced methods like LDA+U, EECE, and DMFT+U.</div><div>But, just as a test, I tried to repeat the example given in the following link within the latest version of the code:</div><div>http://www.wien2k.at/reg_user/faq/open_core.html<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; ">But, it fails after some iterations. It appears that the new advanced changes made in the code do not allow to perform such an old calculation.</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; ">Would someone check whether the above Yb
example can be ran by the WIEN2k_13.1 or some modifications in the above link are needed?</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; ">Can we add in1new or in1ef flags to the open core calculation? Does linearization make sense with "open core" treatments?</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; "><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; ">Best regards,</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal; ">Saeid. </div></div></body></html>