<div dir="ltr"><span style="font-size:12.8px">Dear users</span><div style="font-size:12.8px">I have been to vc-relax my system with hybrid pseudopotentials. However, I always end up with this error message.</div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px"><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     Error in routine electrons (1):</div><div>     dexx is negative!  Check that exxdiv_treatment is appropriate for the system.</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px"><br></div><div style="font-size:12.8px">Although, in previous emails, I was suggested to turn off x_gamma_interpolation. However, this is not solving my problem. The first BFGS cycle runs smooth. However, in the second cycle I get this error message. The pw.input and pw.out file attached. <br>I shall be grateful if anyone can help me to solve this issue.</div><div class="" style="margin:2px 0px 0px;font-size:12.8px"><div id=":zl" class="" tabindex="0"><img class="" src="https://ssl.gstatic.com/ui/v1/icons/mail/images/cleardot.gif"></div></div><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Best Regards<div>Muhammad Adnan Saqlain<div><br></div></div></div></div>
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