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Hi<BR>
i have a silly problem about Si lattice. I defined it as an SC(simple cubic) with 8 atoms per basis:<BR>
<BR>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><FONT face="Courier New" color=#000000>ATOMIC_POSITIONS<BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.00 0.00 0.00 <BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.50 0.50 0.00 <BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.00 0.50 0.50<BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.50 0.00 0.50<BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.25 0.25 0.25<BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.75 0.75 0.25 <BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.25 0.75 0.75<BR><SPAN style="mso-spacerun: yes"> </SPAN>Si 0.75 0.25 0.75<BR><BR>K_POINTS<BR><SPAN style="mso-spacerun: yes"> </SPAN>4<BR><SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>1.00<BR><SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>1.00<BR><SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>3.00<BR><SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>0.3750000<SPAN style="mso-spacerun: yes"> </SPAN>0.1250000<SPAN style="mso-spacerun: yes"> </SPAN>3.00</FONT><BR></P>
<BR>
the Total Energy is 4-times as great as the Fcc structure total energy (till the 5-th digit), but the code has detected 24 symmetries, with no inversion for the SC one. What's the problem(if there is any)? Should'nt be 48 symmetries? <BR>
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