<div>thank you, when i update to 4.3.1, the error disappears. however, my results of example 15 has a liittle difference in alas.ph.out. i think it can not be neglected?? thank you very much. </div>
<div>my results are : <br>**************************************************************************<br> <font color="#ff0000"> omega( 1) = -0.154428 [THz] = -5.151172 [cm-1]<br> omega( 2) = -0.154428 [THz] = -5.151172 [cm-1]<br>
omega( 3) = -0.154428 [THz] = -5.151172 [cm-1]<br></font> omega( 4) = 10.583082 [THz] = 353.013616 [cm-1]<br> omega( 5) = 10.583082 [THz] = 353.013616 [cm-1]<br> omega( 6) = 10.583082 [THz] = 353.013616 [cm-1]<br>
**************************************************************************<br> <br> Mode symmetry, T_d (-43m) point group:<br> <br> omega( 1 - 3) = -5.2 [cm-1] --> T_2 G_15 P_4 I+R<br> omega( 4 - 6) = 353.0 [cm-1] --> T_2 G_15 P_4 I+R<br>
<br> **************************************************************************</div>
<div>the reference are </div>
<div> **************************************************************************<br> <font color="#ff0000">omega( 1) = 0.044075 [THz] = 1.470192 [cm-1]<br> omega( 2) = 0.044075 [THz] = 1.470192 [cm-1]<br>
omega( 3) = 0.044075 [THz] = 1.470192 [cm-1]<br></font> omega( 4) = 10.582824 [THz] = 353.007358 [cm-1]<br> omega( 5) = 10.582824 [THz] = 353.007358 [cm-1]<br> omega( 6) = 10.582824 [THz] = 353.007358 [cm-1]<br>
**************************************************************************<br> <br> Mode symmetry, T_d (-43m) point group:<br> <br> omega( 1 - 3) = 1.5 [cm-1] --> T_2 G_15 P_4 I+R<br> omega( 4 - 6) = 353.0 [cm-1] --> T_2 G_15 P_4 I+R<br>
<br> **************************************************************************<br></div>
<div class="gmail_quote">2011/6/18 Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span><br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote">
<div class="im"><br>On Jun 18, 2011, at 13:21 , xu yuehua wrote:<br><br>> I am puzzled what is the problem<br><br></div>it is a known bug, already fixed in v.4.3.1: see revision 7802,<br><a href="http://qe-forge.org/scm/browser.php?group_id=10" target="_blank">http://qe-forge.org/scm/browser.php?group_id=10</a><br>
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<div></div>
<div class="h5"><br>P.<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br><br><br><br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Yuehua Xu<br>Group of Computational Condensed Matter Physics, <br>National Laboratory of Solid State Microstructures and Department of Physics, <br>Nanjing University,<br>
Nanjing 210093,<br> P. R. China<br><br>