Ground state
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Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINITThis topic was posted 3905 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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SCF does not converge for Band Structure
by Csun » Thu Sep 24, 2020 10:06 pmThis topic was posted 1302 days ago - 3 Replies
- 3976 Views
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Last post by ebousquet
Tue Oct 13, 2020 3:50 pm
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How to accelerate convergence in ground state calculations? [SOLVED]
by tangds » Thu Sep 10, 2020 1:50 pmThis topic was posted 1316 days ago - 2 Replies
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Last post by tangds
Thu Oct 08, 2020 8:56 am
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Segmentation fault - invalid memory reference error in abinit-8.10.3 when running ground state calculation [SOLVED]
by shivaprasad » Sat Aug 08, 2020 8:08 pmThis topic was posted 1349 days ago - 8 Replies
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Last post by shivaprasad
Thu Sep 24, 2020 6:15 am
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- 1 Replies
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Last post by gmatteo
Tue Sep 22, 2020 11:33 pm
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- 0 Replies
- 3576 Views
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Last post by hameed1987
Thu Sep 17, 2020 5:40 pm
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BUG:my_atmtab should have a size equal to my_natom
by jianzhifu » Fri Sep 11, 2020 3:05 amThis topic was posted 1315 days ago - 0 Replies
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Last post by jianzhifu
Fri Sep 11, 2020 3:05 am
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a question about Wannier90 function
by zjuer » Tue Sep 01, 2020 4:33 pmThis topic was posted 1325 days ago - 0 Replies
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Last post by zjuer
Tue Sep 01, 2020 4:33 pm
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- 3 Replies
- 2998 Views
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Last post by ebousquet
Sat Aug 29, 2020 5:52 pm
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Catastrophically heterogenous memory consumption in large GS run
by jbde » Fri Aug 14, 2020 5:41 pmThis topic was posted 1343 days ago - 0 Replies
- 3394 Views
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Last post by jbde
Fri Aug 14, 2020 5:41 pm
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- 1 Replies
- 1994 Views
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Last post by ebousquet
Sun Aug 09, 2020 4:31 pm
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Why aren't my forces relaxing?
by jdonnelly87 » Thu Jul 16, 2020 6:52 amThis topic was posted 1372 days ago - 1 Replies
- 1995 Views
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Last post by ebousquet
Sun Aug 09, 2020 4:27 pm
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- 6 Replies
- 5090 Views
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Last post by cgs12
Tue Aug 04, 2020 6:26 pm
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Plane Wave Decomposition of High Energy Orbtial
by tdaworld » Wed Jul 29, 2020 2:58 pmThis topic was posted 1359 days ago - 0 Replies
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Last post by tdaworld
Wed Jul 29, 2020 2:58 pm
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Fat band calculation with HGH
by zjuer » Wed Jul 22, 2020 6:47 amThis topic was posted 1366 days ago - 1 Replies
- 2006 Views
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Last post by ebousquet
Sun Jul 26, 2020 5:30 pm
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Non Linear calculation input for ferromagnetic system
by andyamygto » Tue Apr 07, 2020 7:11 pmThis topic was posted 1472 days ago - 9 Replies
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Last post by andyamygto
Fri Jul 17, 2020 3:57 pm
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Integer magnetic moment for half-metals
by mhoffmann84 » Thu Jul 09, 2020 12:00 pmThis topic was posted 1379 days ago - 0 Replies
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Last post by mhoffmann84
Thu Jul 09, 2020 12:00 pm
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How to define kpath for supercell structure
by abgs01 » Mon Jul 06, 2020 4:16 pmThis topic was posted 1382 days ago - 1 Replies
- 2132 Views
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Last post by ebousquet
Tue Jul 07, 2020 11:55 am
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Calculation of energy for NaFeO2 (triclinic setting)
by Artur1 » Sat Feb 06, 2016 7:40 pmThis topic was posted 2994 days ago - 2 Replies
- 3130 Views
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Last post by ebousquet
Mon Jul 06, 2020 2:58 pm
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The use of magnetic moment, kpoints, ionmov, supercells, and DOS
by ssh77 » Mon Jun 15, 2020 7:04 pmThis topic was posted 1403 days ago - 4 Replies
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Last post by ebousquet
Mon Jul 06, 2020 2:45 pm
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- 5 Replies
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Last post by ebousquet
Mon Jul 06, 2020 2:31 pm
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- 1 Replies
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Last post by gmatteo
Thu Jul 02, 2020 2:47 am
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Last post by hameed1987
Sun Jun 28, 2020 11:10 am
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elasto-optic coefficients
by sevket simsek » Fri Oct 05, 2012 11:29 amThis topic was posted 4213 days ago - 4 Replies
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Last post by jerkov
Thu Jun 25, 2020 11:36 pm
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Ground state calculation of HCP/FCC Co
by mxwalbert » Fri Jun 19, 2020 1:16 pmThis topic was posted 1399 days ago - 0 Replies
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Last post by mxwalbert
Fri Jun 19, 2020 1:16 pm
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- 5 Replies
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Last post by gmatteo
Fri Jun 19, 2020 4:35 am