dear users<br>I want to find optical properties of ZnS so i used epsilon.x for doing it.but this error has been written.<br> <br>Program POST-PROC v.3.2 starts ...<br> Today is 14Dec2006 at 13:53: 7<br><br> nbndx = 13 nbnd = 13 natomwfc = 15 npwx = 1056
<br> nelec = 18.00 nkb = 24 ngl = 134<br><br> Check: negative/imaginary core charge= -0.000067 0.000000<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from epsilon : error # 1<br> USPP are not implemented<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br>i think this error says that the
epsilon.x doesn't work on US pseudopotential but i am not sure so i look at the epsilon.f90 in that file it was written:<br>-----<br>-----<br>USE uspp, ONLY : okvan<br>------<br>------<br>IF ( okvan ) CALL errore('epsilon','USPP are not implemented',1)
<br>------<br>i don't know what okvan is?is this mean a spatial kind of USPP i should use or it said that i can't use US pseudopotential.<br>I also want to test it with non conserving potential bur unfortunately i couldn't find any pseudopotential for
ZnS.would you please help me and tell me what should i do?<br>I will appreciate your help.<br>sincerely yours<br>amin<br> <br><br clear="all"><br>-- <br>AMIN