<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><br>Hello everyone. I'm trying to create a fully relativistic pseudopotential for Co. But the following error appears<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     from ld1_setup : error #         7<br>     mismatched all-electron/pseudo occupations<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> <br>Anyone can check my input and tell me where is the error?    <br><br> &input<br>    title='Co',<br>    zed=27.,<br>    rel=2,<br>    nld=3,<br>    config='[Ar] 3d7.0 4s2.0 4p0.0',<br>    iswitch=3,<br>    dft='PBE'<br> /<br> &inputp<br>   lloc=0,<br>   pseudotype=3,<br>  
 file_pseudopw='Co.rel-pbe3-rrkjus.UPF',<br>   nlcc=.true.,<br>   rcore=0.9,<br>   author='ASA',<br> /<br>9  <br>4P  2  1  0.00  0.00  2.40  2.40  0.5<br>4P  2  1  0.00  0.00  2.40  2.40  1.5<br>4P  2  1  0.00  0.00  2.40  2.40  0.5 <br>4P  2  1  0.00  0.00  2.40  2.40  1.5<br>3D  3  2  4.00  0.00  1.50  2.10  1.5<br>3D  3  2  0.00 -0.30  1.50  2.10  1.5<br>3D  3  2  4.00  0.00  1.50  2.10  2.5<br>3D  3  2  0.00 -0.30  1.50  2.10  2.5  <br>4S  1  0  2.00  0.00  2.20  2.20  0.5<br><br>This is the first time you try to make a pseudopotencial. Thus, any help is
 welcome.<br><br>                           <br>Sincerely<br><br>A. S. Santos<br>Universidade Federal Fluminense - Rio de Janeiro - Brasil<br></td></tr></table><br>


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