[Pw_forum] optimization of any structure (sathya subramanyan)

[L.F.Huang (黄良锋)]

Hi:
    why do you choose the value of "forc_conv_thr" so small(1*d-10)?
There was a comment by prof. Baroni in the mailinglist:
    1.0d-3 usually is already fine, 1.0d-4 should be more than enough
for any purpose,1.0d-5 is an extremey strict threshold.
LINK:
http://www.democritos.it/pipermail/pw_forum/2007-January/005840.html



======================================================================
L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
======================================================================
 Add：Research Laboratory for Computational Materials Sciences,
      Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
 Tel: 86-551-5591464-328(office)
 Fax: 86-551-5591434
 Web: http://theory.issp.ac.cn (website of our theory group)
      http://www.issp.ac.cn    (website of our institute)
======================================================================


======================================================================
L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
======================================================================
 Add：Research Laboratory for Computational Materials Sciences,
      Instutue of Solid State Physics,the Chinese Academy of Sciences,
      P.O.Box 1129, Hefei 230031, P.R.China
 Tel: 86-551-5591464-328(office)
 Fax: 86-551-5591434
 Web: http://theory.issp.ac.cn (website of our theory group)
      http://www.issp.ac.cn    (website of our institute)
======================================================================