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Dear Members, <br><br>Would be thankful if somebody can have a look on
the problem. I want to apply U = 2 eV only on p-orbital of a particular atom. Kindly
have a look whether I have incorporated my need in the input file as
below or suggest correction.<br> <br> lda_plus_u = .true.<br> Hubbard_U(2) = 2.0d0<br> lda_plus_u_kind=1<br> Hubbard_J(1,2) = 0<br clear="all"><br>-- <br><p style="margin:0in 0in 0.0001pt;text-align:justify"><span style="font-family:arial,helvetica,sans-serif"><span lang="EN-GB">Best Wishes<br></span></span></p><p style="margin:0in 0in 0.0001pt;text-align:justify"><span style="font-family:times new roman,serif"><span lang="EN-GB"><span style="font-family:arial,helvetica,sans-serif">Masood Yousaf</span><br></span></span></p>
<p style="margin:0in 0in 0.0001pt;text-align:justify"><span style="font-family:times new roman,serif"><span lang="EN-GB"></span></span></p>
<p style="margin:0in 0in 0.0001pt;text-align:justify"><span style="font-family:times new roman,serif"><span lang="EN-GB">UNIST, Korea</span></span></p><span style="font-family:times new roman,serif"><br></span>
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