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


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