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cite="mid:CAB25O4kPkrOtSyGTK+8VKtqh9saHdVPxiZm3uUzOwTaKb_im_Q@mail.gmail.com">
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<div>I have 2 questions concerning the use of the FHI-gap code</div>
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id="gmail-m_-7077331748018487484gmail-result_box"
class="gmail-m_-7077331748018487484gmail-" lang="en"><br>
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<div style="font-size:12.8px"><span
id="gmail-m_-7077331748018487484gmail-result_box"
class="gmail-m_-7077331748018487484gmail-" lang="en">1-
How to determine the term of Hubbard using <span
style="font-size:small">FHI-gap </span>code.</span><br>
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Perhaps this is answered by part "A. Determination of U" under
section "III. GW@LDA+U FOR LOCALIZED d STATES" in PRB vol. 82 045108
(2010) [ <a class="moz-txt-link-freetext"
href="https://doi.org/10.1103/PhysRevB.82.045108">https://doi.org/10.1103/PhysRevB.82.045108</a>
]. Maybe reference [7] is also helpful as found in your previous
post at:<br>
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<a class="moz-txt-link-freetext"
href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15600.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15600.html</a><br>
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<blockquote type="cite"
cite="mid:CAB25O4kPkrOtSyGTK+8VKtqh9saHdVPxiZm3uUzOwTaKb_im_Q@mail.gmail.com">
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<div><span style="font-size:12.8px">2- how to lunch a GW and
G0W0 </span><span style="font-size:12.8px">calculation.</span></div>
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Launching of the calculations seems to be described under "Using
FHI-gap" [ <a class="moz-txt-link-freetext"
href="http://www.chem.pku.edu.cn/jianghgroup/codes/fhi-gap.html">http://www.chem.pku.edu.cn/jianghgroup/codes/fhi-gap.html</a>
], under "How to use the code?" [ <a class="moz-txt-link-freetext"
href="http://www.chem.pku.edu.cn/jianghgroup/codes/GAP2.html">http://www.chem.pku.edu.cn/jianghgroup/codes/GAP2.html</a>
], or under "How to run the FHI-gap code?" [ <a
class="moz-txt-link-freetext"
href="http://susi.theochem.tuwien.ac.at/events/ws2015/Tran-talk_xc.pdf">http://susi.theochem.tuwien.ac.at/events/ws2015/Tran-talk_xc.pdf</a>
(slide 38)].
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