<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META content="text/html; charset=utf-8" http-equiv=Content-Type>
<STYLE type=text/css>
BLOCKQUOTE{margin-Top: 0px; margin-Bottom: 0px; margin-Left: 2em}
</STYLE>
<!-- flashmail style begin -->
<STYLE type=text/css>
body {border-width:0;margin:0}
img {border:0;margin:0;padding:0}
</STYLE>
<BASE target=_blank><!-- flashmail style end -->
<META name=GENERATOR content="MSHTML 11.00.10570.1001"></HEAD>
<BODY
style="BORDER-LEFT-WIDTH: 0px; FONT-SIZE: 12pt; FONT-FAMILY: 微软雅黑; BORDER-RIGHT-WIDTH: 0px; BORDER-BOTTOM-WIDTH: 0px; COLOR: #000000; MARGIN: 12px; LINE-HEIGHT: 1.5; BORDER-TOP-WIDTH: 0px"
marginheight="0" marginwidth="0">
<DIV> Dear all,</DIV>
<DIV>I am not sure about the acuurate unit of phonon eigenvectors printed at the
<STRONG>matdyn.modes. </STRONG>e.g. ,</DIV>
<DIV><STRONG></STRONG><STRONG><IMG
src="cid:flashmail$G5uaigtq$1580364508__0@nmmp"></STRONG></DIV>
<DIV>
<DIV>In <A
href="https://www.mail-archive.com/users@lists.quantum-espresso.org/msg04000.html">https://www.mail-archive.com/users@lists.quantum-espresso.org/msg04000.html</A></DIV>
<DIV>The authors mentioned : the units is
masses^(<STRONG>-</STRONG>1/2) (masses are in atomic rydberg units, i.e.
sqrt(<STRONG>-</STRONG>911.444*amass(1) or (2) ......) ).</DIV>
<DIV> </DIV></DIV>
<DIV>In<STRONG> write_eigenvectors.f90 of QE</STRONG>, it writes </DIV>
<DIV>z_((na-1)*3+ipol,i) = z((na-1)*3+ipol,i) <STRONG>*
sqrt(amu_ry*amass(nta))</STRONG></DIV>
<DIV>which has already been <STRONG>multiplied</STRONG> by
sqrt(amu_ry*amass(nta)) , i.e., sqrt(<STRONG>-</STRONG>911.444*amass(1) or (2)
......) ?? (As I have not found the value of constant <STRONG>amu_ry
</STRONG>used in QE<STRONG> </STRONG>)</DIV>
<DIV><STRONG></STRONG> </DIV>
<DIV>The sum of the norm of XYZ of every modes in matdyn.modes equals to 1,
which has been normalized, So I want to check that: the real displacement
of XYZ should be divided by sqrt(911.444*amass(1) or (2) ......) with Bohr
length unit?</DIV>
<DIV> </DIV>
<DIV>Thanks!</DIV>
<DIV> </DIV>
<DIV style="FONT-SIZE: 10pt; FONT-FAMILY: Verdana; COLOR: #c0c0c0">
<DIV align=left>2020-01-30</DIV>
<HR id=SignNameHR
style="BORDER-TOP: #c0c0c0 1px solid; HEIGHT: 1px; BORDER-RIGHT: 0px; WIDTH: 122px; BORDER-BOTTOM: 0px; BORDER-LEFT: 0px"
align=left>
<SPAN id=_FlashSignName>
<STYLE type=text/css>
body {font-size:10.5pt; font-family:微软雅黑,serif}
</STYLE>
<META name=GENERATOR content="MSHTML 11.00.10240.17443">
<DIV><SPAN
style="FONT-SIZE: 10.5pt; FONT-FAMILY: 微软雅黑; COLOR: #000000"></SPAN> </DIV></SPAN></DIV></STATIONERY></BODY></HTML>