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You must be a registered user to post in this forum. Registered users may also post new topics if they consider that their subject does not correspond to any topic already present on the forum.
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MICCoM Validation
MICCoM Validation Collaboration - 2 Topics
- 22 Posts
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Last post by klweaver630
Tue Feb 14, 2017 6:49 pm
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MICCoM Validation
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Qbox-SSAGES
Discussions related to coupling with SSAGES - 1 Topics
- 1 Posts
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Last post by fgygi
Tue Mar 28, 2017 10:37 pm
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Qbox-SSAGES
52 topics • Page 1 of 3 • 1, 2, 3
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- Replies
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- Last post
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- Crash after computing stress tensor
by tbbishop » Thu Jul 13, 2017 11:24 pm - 2 Replies
- 52 Views
- Last post by fgygi
Fri Jul 14, 2017 12:36 am
- Crash after computing stress tensor
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- MPI_Abort errors on different node counts for Cori KNL
by tbbishop » Wed Jun 14, 2017 3:55 am - 4 Replies
- 102 Views
- Last post by tbbishop
Mon Jun 19, 2017 4:03 pm
- MPI_Abort errors on different node counts for Cori KNL
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- Accuracy in computing the hydrogen ground state energy
by AJAK » Thu May 25, 2017 9:38 am - 2 Replies
- 82 Views
- Last post by AJAK
Fri May 26, 2017 10:43 am
- Accuracy in computing the hydrogen ground state energy
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- XML to QuantumEspresso Wave Function Conversion Tool?
by kgreeves » Wed Jan 15, 2014 8:16 pm - 3 Replies
- 1392 Views
- Last post by lesheng
Thu May 18, 2017 4:24 pm
- XML to QuantumEspresso Wave Function Conversion Tool?
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- Error while using bisection command
by lesheng » Fri Feb 10, 2017 2:11 pm - 8 Replies
- 303 Views
- Last post by lesheng
Mon Feb 13, 2017 8:17 pm
- Error while using bisection command
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- Calculations with k-points
by mgerosa » Tue Aug 09, 2016 3:25 pm - 1 Replies
- 258 Views
- Last post by fgygi
Wed Aug 10, 2016 3:59 am
- Calculations with k-points
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- Minor input change/bug
by rlmcavoy » Fri May 06, 2016 9:47 pm - 0 Replies
- 217 Views
- Last post by rlmcavoy
Fri May 06, 2016 9:47 pm
- Minor input change/bug
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- Sudden changes of total energy and temperature
by lesheng » Mon Dec 07, 2015 3:16 am - 2 Replies
- 602 Views
- Last post by fgygi
Thu Jan 14, 2016 9:30 pm
- Sudden changes of total energy and temperature
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- Convert PP from UPF to XML
by lesheng » Sun Nov 29, 2015 7:59 pm - 2 Replies
- 1614 Views
- Last post by lesheng
Mon Nov 30, 2015 6:58 pm
- Convert PP from UPF to XML
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- transition metal ions in water
by dingpan » Mon Sep 07, 2015 9:05 pm - 0 Replies
- 454 Views
- Last post by dingpan
Mon Sep 07, 2015 9:05 pm
- transition metal ions in water
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- Release 1.62.3 is available
by fgygi » Mon Sep 07, 2015 7:05 am - 0 Replies
- 496 Views
- Last post by fgygi
Mon Sep 07, 2015 7:05 am
- Release 1.62.3 is available
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- Release 1.62.2 is available
by fgygi » Sun Aug 23, 2015 6:17 pm - 0 Replies
- 251 Views
- Last post by fgygi
Sun Aug 23, 2015 6:17 pm
- Release 1.62.2 is available
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- Assertion `nbytes % 8 == 0' failed
by dingpan » Fri Jul 24, 2015 12:02 am - 2 Replies
- 456 Views
- Last post by dingpan
Thu Jul 30, 2015 12:23 am
- Assertion `nbytes % 8 == 0' failed
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- Selective atom constraints
by lordi » Wed Jun 24, 2015 5:31 pm - 1 Replies
- 424 Views
- Last post by fgygi
Fri Jun 26, 2015 9:54 am
- Selective atom constraints
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- Large unit cells and metallic slabs
by fgygi » Tue May 26, 2015 6:57 pm - 0 Replies
- 380 Views
- Last post by fgygi
Tue May 26, 2015 6:57 pm
- Large unit cells and metallic slabs
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- Release 1.61.0 is available
by fgygi » Wed May 20, 2015 8:15 pm - 0 Replies
- 971 Views
- Last post by fgygi
Wed May 20, 2015 8:15 pm
- Release 1.61.0 is available
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- Context switching for Qbox objects
by mgoldey » Wed Feb 04, 2015 4:53 pm - 3 Replies
- 628 Views
- Last post by mgoldey
Mon May 18, 2015 10:39 pm
- Context switching for Qbox objects
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- Can we do TD-DFT calcutions with Qbox??
by nidhimangal » Mon May 04, 2015 11:20 am - 0 Replies
- 606 Views
- Last post by nidhimangal
Mon May 04, 2015 11:20 am
- Can we do TD-DFT calcutions with Qbox??
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- How to add a proton in the system
by nidhimangal » Sun Mar 29, 2015 10:49 pm - 1 Replies
- 728 Views
- Last post by fgygi
Sun Mar 29, 2015 11:30 pm
- How to add a proton in the system
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- Release 1.60.4 is available
by fgygi » Thu Oct 02, 2014 11:46 pm - 2 Replies
- 804 Views
- Last post by fgygi
Thu Jan 29, 2015 11:52 pm
- Release 1.60.4 is available
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- BDP thermostat on qbox-1.60.0
by tadashiogitsu » Tue Dec 16, 2014 10:13 pm - 4 Replies
- 758 Views
- Last post by tadashiogitsu
Wed Dec 17, 2014 1:31 am
- BDP thermostat on qbox-1.60.0
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- Infficient use of FFTW
by espetrov » Mon Oct 06, 2014 8:28 am - 2 Replies
- 748 Views
- Last post by espetrov
Mon Oct 27, 2014 9:27 am
- Infficient use of FFTW
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- Unclear error associated with cell optimization
by mgoldey » Tue Oct 14, 2014 8:10 pm - 3 Replies
- 1588 Views
- Last post by fgygi
Fri Oct 17, 2014 4:51 am
- Unclear error associated with cell optimization
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- release notes Qbox 1.58.0
by naromero » Wed Jan 29, 2014 3:55 pm - 1 Replies
- 1057 Views
- Last post by fgygi
Fri Mar 21, 2014 9:32 pm
- release notes Qbox 1.58.0
52 topics • Page 1 of 3
• 1, 2, 3
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