Hi<div><br></div><div>I receive the following error when I perform the nscf calculation after completing the  scf calculation...</div><div><br></div><div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div>     from potinit : error #         1</div><div>     starting and expected charges differ</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>     stopping ...</div>
<div><br></div><div>I read in the forum that this may be due to inconsistent charge calculation from scf as compared to what nscf does, can anyone suggest what steps should be taken to overcome this ?</div><br>-- <br>Regards,<br>
Swapnil Chandratre<br>Graduate Student<br>Dept. of Mechanical Engineering,<br>University of Houston,<br>Houston, TX<br>(M)-713-294-9546<br>
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