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<DIV>Dear all,</DIV>
<DIV> </DIV>
<DIV>We try to plot the exchange-correlation potential in a complex case, using
file case.r2v and command lapw5c lapw5.def</DIV>
<DIV> </DIV>
<DIV>Some values coming out in case.rho seem ok, others are unrealistic:</DIV>
<DIV> </DIV>
<DIV> -0.39502489E+03 -0.39356859E+03 -0.39233167E+03 -0.39103860E+03
-0.38979400E+03<BR> 0.30072004+133 -0.77263179+133 -0.17825796+133
0.80088566+133 0.51317646+132<BR> </DIV>
<DIV>No such weird values are obtained for charge density or coulombic potential
using lapw5c.</DIV>
<DIV> </DIV>
<DIV>Note that numbers in case.rho look "normal" if we use lapw5 (instead
of lapw5c) on case.r2v, but this should not be done since this is a complex
case (no inversion).</DIV>
<DIV> </DIV>
<DIV>Is there any bug reported for lapw5c / case.r2v in WIEN2k_06.4 ? Or are we
doing something wrong ?</DIV>
<DIV> </DIV>
<DIV>Thank you for your help,</DIV>
<DIV>Antoine Villesuzanne<BR>ICMCB-CNRS<BR>France</DIV></BODY></HTML>