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<div class="moz-cite-prefix">Hummmm. I don't know and I will simply
not try because LDA+U (for instance) do it nicely. <br>
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Le 10/12/2013 12:50 AM, Saeid Jalali a écrit :<br>
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<blockquote
cite="mid:1381531806.93731.YahooMailNeo@web140305.mail.bf1.yahoo.com"
type="cite">
<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><a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/faq/open_core.html">http://www.wien2k.at/reg_user/faq/open_core.html</a><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>
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<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>
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