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23 topics • Page 1 of 1
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- references for new algorithms in 1.56.2
by naromero » Thu Jul 26, 2012 7:55 pm - 2 Replies
- 741 Views
- Last post by fgygi
Sat Feb 16, 2013 10:04 pm
- references for new algorithms in 1.56.2
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- Qbox hangs when running more than 8 mpi processes.
1, 2by jlow » Thu Jan 31, 2013 7:06 pm - 10 Replies
- 570 Views
- Last post by fgygi
Sat Feb 16, 2013 8:38 pm
- Qbox hangs when running more than 8 mpi processes.
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- large system test example available?
by pierrecarrier » Thu Jan 24, 2013 7:11 pm - 0 Replies
- 183 Views
- Last post by pierrecarrier
Thu Jan 24, 2013 7:11 pm
- large system test example available?
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- examples not running?
1, 2by d-farrell2 » Fri Apr 10, 2009 5:06 pm - 14 Replies
- 5528 Views
- Last post by pierrecarrier
Mon Jan 21, 2013 8:52 pm
- examples not running?
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- modifying qbox_xyz.sh to read incomplete runs
by gpanchap » Thu Jun 14, 2012 10:35 pm - 2 Replies
- 725 Views
- Last post by fgygi
Thu Jun 14, 2012 11:34 pm
- modifying qbox_xyz.sh to read incomplete runs
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- Spikes in temperature FFT
by gpanchap » Thu Mar 31, 2011 6:45 pm - 3 Replies
- 3255 Views
- Last post by fgygi
Fri Apr 08, 2011 5:22 am
- Spikes in temperature FFT
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- convergence criteria for SCF and structural optimization
by hqzhou » Fri Mar 04, 2011 6:22 am - 0 Replies
- 1658 Views
- Last post by hqzhou
Fri Mar 04, 2011 6:22 am
- convergence criteria for SCF and structural optimization
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- Question about ecut test, SCF run length, preconditioning
by hqzhou » Tue Mar 01, 2011 4:47 am - 5 Replies
- 2240 Views
- Last post by fgygi
Fri Mar 04, 2011 6:17 am
- Question about ecut test, SCF run length, preconditioning
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- effect of cell_lock on ionic T in v 1.50.4
by gpanchap » Wed Jan 12, 2011 3:28 pm - 2 Replies
- 1415 Views
- Last post by fgygi
Mon Jan 17, 2011 1:05 am
- effect of cell_lock on ionic T in v 1.50.4
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- Eigenvector residuals?
by jmoussa » Wed Nov 10, 2010 7:42 pm - 1 Replies
- 1419 Views
- Last post by fgygi
Thu Nov 25, 2010 12:24 am
- Eigenvector residuals?
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- Units of output energy and force
by gpanchap » Sat Jul 31, 2010 7:22 pm - 1 Replies
- 1212 Views
- Last post by fgygi
Sun Aug 01, 2010 5:00 am
- Units of output energy and force
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- writing wfks, dens. to restart MD
by gpanchap » Wed Jun 23, 2010 11:32 am - 3 Replies
- 1566 Views
- Last post by fgygi
Sat Jun 26, 2010 5:14 pm
- writing wfks, dens. to restart MD
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- Stress calculations
by fgygi » Mon Sep 15, 2008 5:25 pm - 2 Replies
- 3055 Views
- Last post by fgygi
Wed May 26, 2010 7:34 pm
- Stress calculations
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- Convergence in liquid metals
by gpanchap » Tue May 25, 2010 1:33 am - 2 Replies
- 1587 Views
- Last post by fgygi
Tue May 25, 2010 5:31 pm
- Convergence in liquid metals
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- pseudopotential
by naromero » Tue Jul 01, 2008 3:40 am - 2 Replies
- 2030 Views
- Last post by fgygi
Thu May 20, 2010 6:48 am
- pseudopotential
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- pseudopotentials online
by fgygi » Fri Apr 03, 2009 10:11 pm - 1 Replies
- 1286 Views
- Last post by d-farrell2
Fri Apr 10, 2009 3:16 pm
- pseudopotentials online
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- Visualization software
by fgygi » Thu Nov 27, 2008 11:19 pm - 1 Replies
- 1018 Views
- Last post by d-farrell2
Fri Apr 10, 2009 3:15 pm
- Visualization software
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- Orthogonalization
by naromero » Tue Jan 13, 2009 4:29 am - 0 Replies
- 800 Views
- Last post by naromero
Tue Jan 13, 2009 4:29 am
- Orthogonalization
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- iterative solution methods
by naromero » Mon Oct 13, 2008 9:10 pm - 4 Replies
- 3633 Views
- Last post by naromero
Tue Jan 13, 2009 4:11 am
- iterative solution methods
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- client-server implementation
by fgygi » Tue Dec 16, 2008 5:49 pm - 0 Replies
- 771 Views
- Last post by fgygi
Tue Dec 16, 2008 5:49 pm
- client-server implementation
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- converging large systems
by naromero » Tue Jun 24, 2008 7:50 pm - 2 Replies
- 2505 Views
- Last post by naromero
Tue Jun 24, 2008 10:24 pm
- converging large systems
23 topics • Page 1 of 1
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