<div>I think you can use revPBE to produce the PPs for using,and in your calculation you can set the input_dft='vDW-DF',that's what the example mean.Could you tell me where you find the information of the example? Thanks.</div>
<div>Robin H<br><br></div>
<div class="gmail_quote">2011/7/28 DONG Rui <span dir="ltr"><<a href="mailto:rdong@ncsu.edu">rdong@ncsu.edu</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><span style="FONT-SIZE: 13px; FONT-FAMILY: arial, sans-serif; BORDER-COLLAPSE: collapse">Hi, all
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<div>I have something not clear about the vdw-df implementation.</div>
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<div>It is mentioned in the example that we'd better use revised pbe when using the vdw-df, but "revPBE" itself is another xc-functional? What do we do now?</div>
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<div>Do we write the input_dft="revPBE+vdW-DF2"?</div>
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<div>or we do "revPBE" first and use the result to restart a "vdW-DF2" calculation?</div>
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<div>Thank you very much for help!</div>
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<div>-- <br>Sincerely,<br><font color="#888888"><br>Rui DONG</font></div></span><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
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