Ground state

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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4060 days ago

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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

Last post by ebousquet « Tue Oct 13, 2020 3:50 pm
Replies: 3
by Csun » Thu Sep 24, 2020 10:06 pm
This topic was posted 1457 days ago

3 Replies

4378 Views

Last post by ebousquet
Tue Oct 13, 2020 3:50 pm
How to accelerate convergence in ground state calculations? [SOLVED]

Last post by tangds « Thu Oct 08, 2020 8:56 am
Replies: 2
by tangds » Thu Sep 10, 2020 1:50 pm
This topic was posted 1471 days ago

2 Replies

5473 Views

Last post by tangds
Thu Oct 08, 2020 8:56 am
Segmentation fault - invalid memory reference error in abinit-8.10.3 when running ground state calculation [SOLVED]

Last post by shivaprasad « Thu Sep 24, 2020 6:15 am
Replies: 8
by shivaprasad » Sat Aug 08, 2020 8:08 pm
This topic was posted 1504 days ago

8 Replies

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Last post by shivaprasad
Thu Sep 24, 2020 6:15 am
Tutorial base1

Last post by gmatteo « Tue Sep 22, 2020 11:33 pm
Replies: 1
by qwin » Thu Sep 17, 2020 1:22 pm
This topic was posted 1464 days ago

1 Replies

2911 Views

Last post by gmatteo
Tue Sep 22, 2020 11:33 pm
Optics run

Last post by hameed1987 « Thu Sep 17, 2020 5:40 pm

by hameed1987 » Thu Sep 17, 2020 5:40 pm
This topic was posted 1464 days ago

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Last post by hameed1987
Thu Sep 17, 2020 5:40 pm
BUG:my_atmtab should have a size equal to my_natom

Last post by jianzhifu « Fri Sep 11, 2020 3:05 am

by jianzhifu » Fri Sep 11, 2020 3:05 am
This topic was posted 1470 days ago

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Last post by jianzhifu
Fri Sep 11, 2020 3:05 am
a question about Wannier90 function

Last post by zjuer « Tue Sep 01, 2020 4:33 pm

by zjuer » Tue Sep 01, 2020 4:33 pm
This topic was posted 1480 days ago

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Tue Sep 01, 2020 4:33 pm
About nph1l

Last post by ebousquet « Sat Aug 29, 2020 5:52 pm
Replies: 3
by hmao » Mon Aug 10, 2020 6:50 am
This topic was posted 1502 days ago

3 Replies

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Last post by ebousquet
Sat Aug 29, 2020 5:52 pm
Catastrophically heterogenous memory consumption in large GS run

Last post by jbde « Fri Aug 14, 2020 5:41 pm

by jbde » Fri Aug 14, 2020 5:41 pm
This topic was posted 1498 days ago

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Last post by jbde
Fri Aug 14, 2020 5:41 pm
Relaxation No Force

Last post by ebousquet « Sun Aug 09, 2020 4:31 pm
Replies: 1
by lilymali03 » Tue Jul 14, 2020 8:44 am
This topic was posted 1529 days ago

1 Replies

2280 Views

Last post by ebousquet
Sun Aug 09, 2020 4:31 pm
Why aren't my forces relaxing?

Last post by ebousquet « Sun Aug 09, 2020 4:27 pm
Replies: 1
by jdonnelly87 » Thu Jul 16, 2020 6:52 am
This topic was posted 1527 days ago

1 Replies

2230 Views

Last post by ebousquet
Sun Aug 09, 2020 4:27 pm
Smearing types [SOLVED]

Last post by cgs12 « Tue Aug 04, 2020 6:26 pm
Replies: 6
by cgs12 » Fri Jul 24, 2020 12:28 am
This topic was posted 1520 days ago

6 Replies

6122 Views

Last post by cgs12
Tue Aug 04, 2020 6:26 pm
Plane Wave Decomposition of High Energy Orbtial

Last post by tdaworld « Wed Jul 29, 2020 2:58 pm

by tdaworld » Wed Jul 29, 2020 2:58 pm
This topic was posted 1514 days ago

0 Replies

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Last post by tdaworld
Wed Jul 29, 2020 2:58 pm
Fat band calculation with HGH

Last post by ebousquet « Sun Jul 26, 2020 5:30 pm
Replies: 1
by zjuer » Wed Jul 22, 2020 6:47 am
This topic was posted 1521 days ago

1 Replies

2252 Views

Last post by ebousquet
Sun Jul 26, 2020 5:30 pm
Non Linear calculation input for ferromagnetic system

Last post by andyamygto « Fri Jul 17, 2020 3:57 pm
Replies: 9
by andyamygto » Tue Apr 07, 2020 7:11 pm
This topic was posted 1627 days ago

9 Replies

6699 Views

Last post by andyamygto
Fri Jul 17, 2020 3:57 pm
Integer magnetic moment for half-metals

Last post by mhoffmann84 « Thu Jul 09, 2020 12:00 pm

by mhoffmann84 » Thu Jul 09, 2020 12:00 pm
This topic was posted 1534 days ago

0 Replies

3636 Views

Last post by mhoffmann84
Thu Jul 09, 2020 12:00 pm
How to define kpath for supercell structure

Last post by ebousquet « Tue Jul 07, 2020 11:55 am
Replies: 1
by abgs01 » Mon Jul 06, 2020 4:16 pm
This topic was posted 1537 days ago

1 Replies

2403 Views

Last post by ebousquet
Tue Jul 07, 2020 11:55 am
Calculation of energy for NaFeO2 (triclinic setting)

Last post by ebousquet « Mon Jul 06, 2020 2:58 pm
Replies: 2
by Artur1 » Sat Feb 06, 2016 7:40 pm
This topic was posted 3149 days ago

2 Replies

3377 Views

Last post by ebousquet
Mon Jul 06, 2020 2:58 pm
The use of magnetic moment, kpoints, ionmov, supercells, and DOS

Last post by ebousquet « Mon Jul 06, 2020 2:45 pm
Replies: 4
by ssh77 » Mon Jun 15, 2020 7:04 pm
This topic was posted 1558 days ago

4 Replies

3734 Views

Last post by ebousquet
Mon Jul 06, 2020 2:45 pm
out of memory

Last post by ebousquet « Mon Jul 06, 2020 2:31 pm
Replies: 5
by suman » Fri May 29, 2020 6:59 am
This topic was posted 1575 days ago

5 Replies

4180 Views

Last post by ebousquet
Mon Jul 06, 2020 2:31 pm
End of the Input file

Last post by gmatteo « Thu Jul 02, 2020 2:47 am
Replies: 1
by ssh77 » Fri May 22, 2020 8:01 pm
This topic was posted 1582 days ago

1 Replies

2334 Views

Last post by gmatteo
Thu Jul 02, 2020 2:47 am
Erro

Last post by hameed1987 « Sun Jun 28, 2020 11:10 am

by hameed1987 » Sun Jun 28, 2020 11:10 am
This topic was posted 1545 days ago

0 Replies

3702 Views

Last post by hameed1987
Sun Jun 28, 2020 11:10 am
elasto-optic coefficients

Last post by jerkov « Thu Jun 25, 2020 11:36 pm
Replies: 4
by sevket simsek » Fri Oct 05, 2012 11:29 am
This topic was posted 4368 days ago

4 Replies

4773 Views

Last post by jerkov
Thu Jun 25, 2020 11:36 pm
Ground state calculation of HCP/FCC Co

Last post by mxwalbert « Fri Jun 19, 2020 1:16 pm

by mxwalbert » Fri Jun 19, 2020 1:16 pm
This topic was posted 1554 days ago

0 Replies

3780 Views

Last post by mxwalbert
Fri Jun 19, 2020 1:16 pm
Using spgroup correctly

Last post by gmatteo « Fri Jun 19, 2020 4:35 am
Replies: 5
by ssh77 » Fri Jun 05, 2020 5:58 pm
This topic was posted 1568 days ago

5 Replies

3998 Views

Last post by gmatteo
Fri Jun 19, 2020 4:35 am

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