<div dir="ltr"><div>Dear Wang</div>
<div>you can find the way of U calculation in first Vlab in lecture part and Matteo Cococcioni'</div>
<div>thesis.</div>
<div>good luck</div>
<div>Mansoureh<br></div>
<div class="gmail_quote">On Thu, Oct 9, 2008 at 11:04 AM, wangqj1 <span dir="ltr"><<a href="mailto:wangqj1@126.com">wangqj1@126.com</a>></span> wrote:<br>
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<div> Dear Mansoureh<br></div>
<div> I have not got U for this system ,So I want to caculate it .Can you give some advice and examples ? Thank you !</div>
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<div> Dear Wang<br>have you got U for this system?or do you want to calculate it?<br>Mansoureh<br><br>><i><br></i>><i> Dear pwscf users<br></i>><i><br></i>><i> I want to do some LDA+U caculations of Mn adoped ZnO, but I don't know<br>
</i>><i> how to set<br></i>><i><br></i>><i> the parameter of Hubbard_U(I) , *Does anyone know the Hubbard U parameter<br></i>><i> of ZnO and Mn ?*<br></i>><i> * *<br></i>><i> *Any help will be greatly appreciated.*<br>
</i>><i> **<br></i>><i><br></i>><i> Sincerely.<br></i>><i><br></i>><i> Wang<br></i>><i> **<br></i>><i><br></i></div><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
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