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output during non SCF runs

Last post by mverstra « Fri Mar 26, 2010 6:57 pm
Posted in Proposed code modifications

by mverstra » Fri Mar 26, 2010 6:57 pm » in Proposed code modifications

0 Replies

1240 Views

Last post by mverstra
Fri Mar 26, 2010 6:57 pm
Symmetry handling for space groups having Origin 2 possibili

Last post by gonze « Thu Mar 18, 2010 10:56 pm
Posted in Input file

by gonze » Thu Mar 18, 2010 10:56 pm » in Input file

0 Replies

1430 Views

Last post by gonze
Thu Mar 18, 2010 10:56 pm
Spammers - Hunt season open

Last post by pouillon « Thu Mar 18, 2010 12:00 pm
Posted in News & Announcements

by pouillon » Thu Mar 18, 2010 12:00 pm » in News & Announcements

0 Replies

8016 Views

Last post by pouillon
Thu Mar 18, 2010 12:00 pm
the vibration direction of atom

Last post by mverstra « Tue Mar 16, 2010 12:19 am
Posted in Response calculations

by mverstra » Tue Mar 16, 2010 12:19 am » in Response calculations

0 Replies

1790 Views

Last post by mverstra
Tue Mar 16, 2010 12:19 am
memory

Last post by bmalvandi « Sun Mar 14, 2010 10:15 am
Posted in Input file

by bmalvandi » Sun Mar 14, 2010 10:15 am » in Input file

0 Replies

1358 Views

Last post by bmalvandi
Sun Mar 14, 2010 10:15 am
velocity of the abinit 6.02

Last post by hhwj340 « Mon Mar 08, 2010 2:07 pm
Posted in Configuration

by hhwj340 » Mon Mar 08, 2010 2:07 pm » in Configuration

0 Replies

1215 Views

Last post by hhwj340
Mon Mar 08, 2010 2:07 pm
MPI version and ABINIT v.6.0.2

Last post by adudka « Fri Mar 05, 2010 10:46 am
Posted in Configuration

by adudka » Fri Mar 05, 2010 10:46 am » in Configuration

0 Replies

1637 Views

Last post by adudka
Fri Mar 05, 2010 10:46 am
Abinit-601, BUG: chaining calculations, npw != npw1

Last post by torrent « Wed Feb 24, 2010 1:04 pm
Posted in Ground state

by torrent » Wed Feb 24, 2010 1:04 pm » in Ground state

0 Replies

2778 Views

Last post by torrent
Wed Feb 24, 2010 1:04 pm
ZrO2 phonon frequencies at X and arbitrary q-point

Last post by ilukacevic « Wed Feb 24, 2010 9:28 am
Posted in Response calculations

by ilukacevic » Wed Feb 24, 2010 9:28 am » in Response calculations

0 Replies

1567 Views

Last post by ilukacevic
Wed Feb 24, 2010 9:28 am
[SOLVED] line minimization not converged after 13 restarts

Last post by mverstra « Mon Feb 22, 2010 3:22 pm
Posted in Ground state

by mverstra » Mon Feb 22, 2010 3:22 pm » in Ground state

0 Replies

2886 Views

Last post by mverstra
Mon Feb 22, 2010 3:22 pm
Fe dimer

Last post by mverstra « Sun Feb 21, 2010 1:38 pm
Posted in Ground state

by mverstra » Sun Feb 21, 2010 1:38 pm » in Ground state

0 Replies

1813 Views

Last post by mverstra
Sun Feb 21, 2010 1:38 pm
full band structure sampling points

Last post by mverstra « Thu Feb 18, 2010 6:53 pm
Posted in Input file

by mverstra » Thu Feb 18, 2010 6:53 pm » in Input file

0 Replies

1816 Views

Last post by mverstra
Thu Feb 18, 2010 6:53 pm
tests_acc (RE: MPI configuration in v.6.0.x)

Last post by mmikami « Tue Feb 16, 2010 10:57 am
Posted in Testing and Documentation

by mmikami » Tue Feb 16, 2010 10:57 am » in Testing and Documentation

0 Replies

1857 Views

Last post by mmikami
Tue Feb 16, 2010 10:57 am
How to ... use ABINIT for XANES (XAS, ELNES) spectra ...

Last post by gonze « Wed Jan 20, 2010 12:37 pm
Posted in Frequently Asked Questions

by gonze » Wed Jan 20, 2010 12:37 pm » in Frequently Asked Questions

0 Replies

6120 Views

Last post by gonze
Wed Jan 20, 2010 12:37 pm
Suggestions for Forum improvements

Last post by mcote « Mon Jan 04, 2010 8:07 pm
Posted in Testing and Documentation

by mcote » Mon Jan 04, 2010 8:07 pm » in Testing and Documentation

0 Replies

1701 Views

Last post by mcote
Mon Jan 04, 2010 8:07 pm
Missing variable outputs

Last post by mverstra « Sun Dec 06, 2009 4:35 pm
Posted in Proposed code modifications

by mverstra » Sun Dec 06, 2009 4:35 pm » in Proposed code modifications

0 Replies

1811 Views

Last post by mverstra
Sun Dec 06, 2009 4:35 pm
Switching to RestructuredText for documentation

Last post by pouillon « Tue Dec 01, 2009 12:35 am
Posted in Testing and Documentation

by pouillon » Tue Dec 01, 2009 12:35 am » in Testing and Documentation

0 Replies

1699 Views

Last post by pouillon
Tue Dec 01, 2009 12:35 am

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