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
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L.F.Huang(???) lfhuang at theory.issp.ac.cn
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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(???) 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)
======================================================================
