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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 37654 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- confused about the parameter of "getden" [SOLVED]
by ucsdmavrl » Fri Jan 13, 2017 2:14 am
- 2 Replies
- 728 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
- 932 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
- 640 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
- 1359 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
- 606 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
- 496 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
- 719 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
- 747 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
- 709 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
- 822 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
- 882 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
- 2208 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
- 3027 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
- 955 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
- 1222 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
- 2465 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
- 3587 Views
- Last post by amadon
Tue Sep 13, 2016 9:45 am
- fatband file and its Fermi level?
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- errors in nscf caculation with thousands of bands using PAW
by xw213 » Sat Sep 03, 2016 6:19 am - 2 Replies
- 1250 Views
- Last post by xw213
Mon Sep 05, 2016 7:47 pm
- errors in nscf caculation with thousands of bands using PAW
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- Creating an amorphous HfO2 supercell on ABINIT
by Mohamedy002 » Tue Aug 30, 2016 2:40 pm
- 3 Replies
- 1127 Views
- Last post by Mohamedy002
Tue Aug 30, 2016 10:21 pm
- Creating an amorphous HfO2 supercell on ABINIT
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- t2g and eg orbitals [SOLVED]
by phialberta » Fri Aug 12, 2016 7:46 pm - 2 Replies
- 1109 Views
- Last post by phialberta
Mon Aug 22, 2016 2:39 pm
- t2g and eg orbitals [SOLVED]
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- band structure using hybrid functionals
by hfarsakh » Thu Aug 11, 2016 12:34 am - 3 Replies
- 1836 Views
- Last post by torrent
Wed Aug 17, 2016 2:55 pm
- band structure using hybrid functionals
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- Running optimization and EBS in same run (different dataset)
by marco.digennaro » Fri Aug 12, 2016 5:32 pm - 0 Replies
- 743 Views
- Last post by marco.digennaro
Fri Aug 12, 2016 5:32 pm
- Running optimization and EBS in same run (different dataset)
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- Fixing the spin at each atom
by senersen » Fri Aug 05, 2016 12:10 pm - 1 Replies
- 1001 Views
- Last post by ebousquet
Fri Aug 12, 2016 12:24 pm
- Fixing the spin at each atom
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- MPI_Abort error in Abinit 8.0.8 [SOLVED]
by sheng » Thu Jul 28, 2016 10:54 am
- 2 Replies
- 1655 Views
- Last post by sheng
Fri Jul 29, 2016 10:28 am
- MPI_Abort error in Abinit 8.0.8 [SOLVED]
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- Restarting from the same WFN didn't got the same energy
by Vladimir » Tue Jul 19, 2016 6:54 am
- 5 Replies
- 1885 Views
- Last post by Vladimir
Thu Jul 28, 2016 9:35 am
- Restarting from the same WFN didn't got the same energy
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