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<DIV><FONT color=#000000 size=3 face=宋体>Hello dear QE
users,<BR> I have used the 'calculation=relax' to calculation a
48 atomes' system, and I compare the structure data(after relax) with the
one from input file(before relax),I find that there has a big difference. Then I
import the two structures to Xcrysden, the result as the above two pictures show
that, I do not understand why and wonder if some problems with symmetry? I am
not sure.<BR>I look forward to your suggestion! Thank you!</FONT></DIV>
<DIV><FONT color=#000000 size=3></FONT> </DIV>
<DIV>Best wishes!</DIV>
<DIV>JWY </DIV>
<DIV><FONT color=#000000 size=3></FONT> </DIV>
<DIV> </DIV>
<DIV align=left><FONT color=#c0c0c0 size=2
face=Verdana>2014-04-21</FONT></DIV><FONT size=2 face=Verdana>
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<DIV><FONT color=#c0c0c0 size=2 face=Verdana><SPAN
id=_FlashSignName>yjunwei2012</SPAN></FONT></DIV></STATIONERY></BODY></HTML>