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<P>Dear all users</P>
<P>I have generated a supercell containing 27 unit cell .But my calculation stops,in the first iteration with this error in lapw2:</P>
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<P>'FERMI' - EFERMI OUT OF ENERGY RANGE</P>
<P>'FERMI' - STOP IN EFI</P>
<P>'FERMI' - ENERGY OF LOWER BOUND : -3.64826 </P>
<P>'FERMI' - NUMBER OF STATES AT THE LOWER BOUND : 0.00000 </P>
<P>'FERMI' - ENERGY OF UPPER BOUND : -0.80474 </P>
<P>'FERMI' - NUMBER OF STATES AT THE UPPER BOUND :1000.00000 </P>
<P>'FERMI' - ADD 1000.00000 </P>
<P>'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0000.0000.313 </P>
<P>'FERMI' - NOS ************************************************** </P>
<P>I have increased EMAX in case.in1 file to 2.5 but the problem remains.</P>
<P>Any other comment appreciated.</P>
<P>Best regards. </P></FONT></DIV></TD></TR>
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