<br>Dear users,<br><br>I have faced this error while trying to generate a pseudopotential for Ti.<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     from ld1_readin : error #         1<br>

     Two wavefunctions for the same l<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>Can any one tell me what's wrong?<br><br>Thanks in advance.<br><br>This is my input file:<br>

<br> &input<br>        title='Ti',<br>        zed=22.0,<br>        rel=1,<br>        iswitch=3,<br>        rlderiv=2.50,<br>        eminld=-4.0,<br>        emaxld=4.0,<br>        deld=0.02,<br>        nld=5,<br>

        config='[Ne] 3s2 3p6 3d2 4s2 4p0',<br>        dft='PBE'<br> /<br> &inputp<br>        pseudotype=1<br>        lloc=0,<br>        file_pseudopw='Ti.ncpp',<br>       ! nlcc=.true.,<br>       ! rcore=0.8,<br>

 /<br>5<br>3D  5  2  2.00  0.00  1.0 1.0<br>3P  4  1  6.00  0.00  2.7 2.7<br>4P  3  1  0.00  0.00  2.7 2.7<br>3S  2  0  2.00 -0.00  2.2 2.2<br>4S  1  0  2.00 -0.00  2.2 2.2<br><br><br clear="all"><br>-- <br>---------------------------------------------------------<br>

<br>Mohaddeseh Abbasnejad, <br>Room No. 323, Department of Physics, <br>University of Tehran, North Karegar Ave.,<br>Tehran, P.O. Box: 14395-547- IRAN <br>Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781<br>Cellphone: +989177317514<br>

E-Mail:     <a href="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</a><br>Website:  <a href="http://physics.ut.ac.ir">http://physics.ut.ac.ir</a><br><br>---------------------------------------------------------<br>

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