[Pw_forum] pwscf version 4.3 example 15 error

[xu yuehua]

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.
my results  are :
**************************************************************************
     omega( 1) =      -0.154428 [THz] =      -5.151172 [cm-1]
     omega( 2) =      -0.154428 [THz] =      -5.151172 [cm-1]
     omega( 3) =      -0.154428 [THz] =      -5.151172 [cm-1]
     omega( 4) =      10.583082 [THz] =     353.013616 [cm-1]
     omega( 5) =      10.583082 [THz] =     353.013616 [cm-1]
     omega( 6) =      10.583082 [THz] =     353.013616 [cm-1]
 **************************************************************************

     Mode symmetry, T_d (-43m)  point group:

     omega(  1 -  3) =         -5.2  [cm-1]   --> T_2  G_15 P_4   I+R
     omega(  4 -  6) =        353.0  [cm-1]   --> T_2  G_15 P_4   I+R

 **************************************************************************
the reference are
 **************************************************************************
     omega( 1) =       0.044075 [THz] =       1.470192 [cm-1]
     omega( 2) =       0.044075 [THz] =       1.470192 [cm-1]
     omega( 3) =       0.044075 [THz] =       1.470192 [cm-1]
     omega( 4) =      10.582824 [THz] =     353.007358 [cm-1]
     omega( 5) =      10.582824 [THz] =     353.007358 [cm-1]
     omega( 6) =      10.582824 [THz] =     353.007358 [cm-1]
 **************************************************************************

     Mode symmetry, T_d (-43m)  point group:

     omega(  1 -  3) =          1.5  [cm-1]   --> T_2  G_15 P_4   I+R
     omega(  4 -  6) =        353.0  [cm-1]   --> T_2  G_15 P_4   I+R

 **************************************************************************
2011/6/18 Paolo Giannozzi <giannozz at democritos.it>

>
> On Jun 18, 2011, at 13:21 , xu yuehua wrote:
>
> > I am puzzled what is the problem
>
> it is a known bug, already fixed in v.4.3.1: see revision 7802,
> http://qe-forge.org/scm/browser.php?group_id=10
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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>



-- 
Yuehua Xu
Group of Computational Condensed Matter Physics,
National Laboratory of Solid State Microstructures and Department of
Physics,
Nanjing University,
 Nanjing 210093,
 P. R. China
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