ABINIT Discussion Forums
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Ground state
Moderator: amadon
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 40910 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- How to run ABINIT on multiple GPU cards
by roshan » Wed Jan 07, 2015 9:54 am - 4 Replies
- 2728 Views
- Last post by marco.digennaro
Wed Apr 26, 2017 1:56 pm
- How to run ABINIT on multiple GPU cards
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- Cu Ground State - far from datas. Error in input file ? [SOLVED]
by jean-luc » Wed Apr 19, 2017 6:33 pm - 3 Replies
- 1612 Views
- Last post by jean-luc
Tue Apr 25, 2017 9:27 am
- Cu Ground State - far from datas. Error in input file ? [SOLVED]
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- Planar averaged Hartree potential [SOLVED]
by wxiaom86 » Tue Mar 07, 2017 4:00 am
- 4 Replies
- 1569 Views
- Last post by wxiaom86
Wed Mar 15, 2017 9:38 pm
- Planar averaged Hartree potential [SOLVED]
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- SCF cycle deteriorates during relaxation [SOLVED]
by gabriel.antonius » Sun Feb 05, 2017 10:44 pm
- 4 Replies
- 2061 Views
- Last post by gabriel.antonius
Tue Feb 14, 2017 2:07 am
- SCF cycle deteriorates during relaxation [SOLVED]
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- Checking input parameters for consistency [SOLVED]
by umanzorme » Mon Nov 21, 2016 5:46 pm - 5 Replies
- 4757 Views
- Last post by Holmes2499
Mon Feb 06, 2017 8:19 am
- Checking input parameters for consistency [SOLVED]
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- meta-GGA via libxc in abinit
by EBIsaacs » Wed Dec 07, 2016 10:44 pm
- 12 Replies
- 3621 Views
- Last post by EBIsaacs
Fri Jan 27, 2017 6:09 pm
- meta-GGA via libxc in abinit
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- bug of state.F90 ? [SOLVED]
by wxiaom86 » Sat Jan 14, 2017 5:17 pm - 1 Replies
- 816 Views
- Last post by Jordan
Mon Jan 23, 2017 9:34 am
- bug of state.F90 ? [SOLVED]
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- values more than 264 columns
by ucsdmavrl » Sun Jan 15, 2017 6:54 am
- 1 Replies
- 714 Views
- Last post by ebousquet
Sun Jan 22, 2017 4:54 pm
- values more than 264 columns
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- confused about the parameter of "getden" [SOLVED]
by ucsdmavrl » Fri Jan 13, 2017 2:14 am
- 2 Replies
- 909 Views
- Last post by ucsdmavrl
Fri Jan 13, 2017 6:46 pm
- confused about the parameter of "getden" [SOLVED]
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- SCF convergence problem in vacancy defect modelling
by mmaeda » Thu Dec 08, 2016 1:26 pm - 4 Replies
- 1175 Views
- Last post by ebousquet
Fri Jan 13, 2017 12:45 pm
- SCF convergence problem in vacancy defect modelling
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- sphereboundary.f90 error [SOLVED]
by amirnasser » Fri Dec 09, 2016 9:44 pm
- 2 Replies
- 823 Views
- Last post by amirnasser
Fri Jan 13, 2017 9:29 am
- sphereboundary.f90 error [SOLVED]
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- ERROR message: | abi_xpotrf, info=7 [SOLVED]
by ucsdmavrl » Sat Nov 26, 2016 4:05 am
- 1 Replies
- 1502 Views
- Last post by Jordan
Fri Jan 06, 2017 10:51 am
- ERROR message: | abi_xpotrf, info=7 [SOLVED]
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- HYbrid functional
by marsusi » Thu Jan 05, 2017 11:46 am
- 0 Replies
- 709 Views
- Last post by marsusi
Thu Jan 05, 2017 11:46 am
- HYbrid functional
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- SCF run in CDFT convergence
by ramanujan » Mon Dec 12, 2016 4:32 am
- 1 Replies
- 635 Views
- Last post by ebousquet
Thu Dec 15, 2016 8:39 pm
- SCF run in CDFT convergence
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- how to constrain magnetization in ABINIT? [SOLVED]
by ucsdmavrl » Tue Dec 13, 2016 9:58 am - 2 Replies
- 888 Views
- Last post by ebousquet
Thu Dec 15, 2016 12:11 am
- how to constrain magnetization in ABINIT? [SOLVED]
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- Applying strain on a 2 D material [SOLVED]
by manik » Wed Nov 30, 2016 6:16 pm - 2 Replies
- 926 Views
- Last post by manik
Thu Dec 01, 2016 1:27 pm
- Applying strain on a 2 D material [SOLVED]
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- parallel problem for AFM calculations
by jed » Mon Nov 14, 2016 5:37 am - 1 Replies
- 828 Views
- Last post by ebousquet
Wed Nov 16, 2016 1:02 pm
- parallel problem for AFM calculations
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- How do calc magnetization of each orbital for atoms? [SOLVED]
by ucsdmavrl » Tue Nov 15, 2016 7:55 am - 2 Replies
- 996 Views
- Last post by ucsdmavrl
Tue Nov 15, 2016 8:54 pm
- How do calc magnetization of each orbital for atoms? [SOLVED]
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- Error: overflow of mcg integer for size of the full wf
by marchal » Thu Nov 10, 2016 6:28 pm - 1 Replies
- 1015 Views
- Last post by delaveau
Mon Nov 14, 2016 1:46 pm
- Error: overflow of mcg integer for size of the full wf
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- DOS AND PDOS for PbTiO3
by MANISH ANAND » Wed Oct 12, 2016 9:23 am
- 1 Replies
- 2425 Views
- Last post by Jordan
Thu Oct 13, 2016 8:50 am
- DOS AND PDOS for PbTiO3
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- Problem with t41.file test
by sdwang » Fri Sep 24, 2010 9:56 am - 4 Replies
- 3257 Views
- Last post by Naina
Tue Sep 27, 2016 1:29 pm
- Problem with t41.file test
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- Problem with ScaLAPACK
by sheng » Thu Sep 15, 2016 5:48 am - 0 Replies
- 1058 Views
- Last post by sheng
Thu Sep 15, 2016 5:48 am
- Problem with ScaLAPACK
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- fatbands for ncpp
by xw213 » Fri Sep 09, 2016 4:49 pm - 4 Replies
- 1421 Views
- Last post by xw213
Tue Sep 13, 2016 5:21 pm
- fatbands for ncpp
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- LDA+U with U correction on p-orbitals
by nirama » Fri Jul 29, 2016 9:52 pm - 2 Replies
- 2605 Views
- Last post by sheng
Tue Sep 13, 2016 12:09 pm
- LDA+U with U correction on p-orbitals
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- fatband file and its Fermi level?
by pipidog » Mon Jun 06, 2016 7:59 am - 2 Replies
- 3762 Views
- Last post by amadon
Tue Sep 13, 2016 9:45 am
- fatband file and its Fermi level?
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