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 3910 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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band structure of Cobalt monolayer
by Abdullah137 » Fri Jun 11, 2021 4:22 amThis topic was posted 1047 days ago - 1 Replies
- 79190 Views
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Last post by bguster
Mon Jun 28, 2021 11:06 am
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Error in input file [SOLVED]
by shamkhali » Fri May 07, 2021 1:36 amThis topic was posted 1082 days ago - 1 Replies
- 10690 Views
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Last post by shamkhali
Fri May 07, 2021 4:33 pm
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Comparing pwscf and Abinit MPI SCF calculations
by yatest » Tue Mar 30, 2021 5:59 pmThis topic was posted 1120 days ago - 0 Replies
- 16251 Views
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Last post by yatest
Tue Mar 30, 2021 5:59 pm
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Tolerance to allow the computation of the eigenvectors of the SCF cycle for a supercell
by Salah » Sat Mar 06, 2021 10:49 pmThis topic was posted 1143 days ago - 1 Replies
- 7562 Views
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Last post by Salah
Mon Mar 29, 2021 7:32 am
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DOS, Hybrids and DEN calculations
by lorenzo.sponza » Fri Mar 26, 2021 6:33 pmThis topic was posted 1124 days ago - 0 Replies
- 16076 Views
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Last post by lorenzo.sponza
Fri Mar 26, 2021 6:33 pm
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SCF convergence deteriorates during structural relaxation resulting in crash
by kalkm1 » Mon Mar 15, 2021 12:43 pmThis topic was posted 1135 days ago - 3 Replies
- 8374 Views
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Last post by kalkm1
Sun Mar 21, 2021 12:18 pm
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Relaxation of the lattice paramters and atomic positions with NEB method
by Jamil Missaoui » Wed Mar 17, 2021 11:09 amThis topic was posted 1133 days ago - 0 Replies
- 16885 Views
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Last post by Jamil Missaoui
Wed Mar 17, 2021 11:09 am
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- 1 Replies
- 7161 Views
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Last post by gmatteo
Tue Mar 16, 2021 12:42 am
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Band Structure and Fermi Energy Level
by hameed1987 » Wed Feb 10, 2021 6:02 pmThis topic was posted 1168 days ago - 0 Replies
- 16567 Views
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Last post by hameed1987
Wed Feb 10, 2021 6:02 pm
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Supercell with Europium impurity : Convergence problem [SOLVED]
by jbouquiaux » Mon Jan 18, 2021 11:08 amThis topic was posted 1191 days ago - 1 Replies
- 11171 Views
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Last post by jbouquiaux
Mon Jan 25, 2021 8:49 am
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Energy barrier between two crystal polymorphs (NEB)
by jackbaker » Thu Jan 21, 2021 1:12 amThis topic was posted 1188 days ago - 0 Replies
- 17150 Views
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Last post by jackbaker
Thu Jan 21, 2021 1:12 am
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Problems related to calculation of momentum distribution of Fe-Cu
by YUMA » Tue Jan 19, 2021 4:57 amThis topic was posted 1190 days ago - 0 Replies
- 7306 Views
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Last post by YUMA
Tue Jan 19, 2021 4:57 am
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relaxation of fcc bulk lattice results in hcp coordinates
by erichmond » Sun Jan 10, 2021 11:44 pmThis topic was posted 1198 days ago - 0 Replies
- 7662 Views
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Last post by erichmond
Sun Jan 10, 2021 11:44 pm
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KSS file not getting created
by nsingh3 » Tue Dec 29, 2020 6:03 pmThis topic was posted 1211 days ago - 0 Replies
- 7569 Views
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Last post by nsingh3
Tue Dec 29, 2020 6:03 pm
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Thermal conductivity calculation using abinit+phono3py
by tangds » Sun Dec 20, 2020 6:47 amThis topic was posted 1220 days ago - 4 Replies
- 8609 Views
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Last post by tangds
Tue Dec 29, 2020 1:47 pm
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extremely large forces outputted by abinit for the equilibrium structure
by whw19850730 » Thu Dec 17, 2020 4:19 amThis topic was posted 1223 days ago - 1 Replies
- 6963 Views
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Last post by gonze
Thu Dec 24, 2020 5:00 pm
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Posdoppler variable missing
by Error123 » Thu Dec 03, 2020 10:08 pmThis topic was posted 1237 days ago - 3 Replies
- 8594 Views
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Last post by gmatteo
Tue Dec 22, 2020 12:54 am
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structural optimization of monolayer In2Se3
by suman » Fri Feb 07, 2020 6:56 pmThis topic was posted 1537 days ago - 1 Replies
- 6868 Views
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Last post by whw19850730
Thu Dec 17, 2020 8:23 pm
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- 0 Replies
- 7179 Views
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Last post by wei
Thu Dec 17, 2020 5:08 am
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How do you calculate defect formation energies?
by kalkm1 » Wed Nov 25, 2020 4:27 pmThis topic was posted 1245 days ago - 3 Replies
- 9139 Views
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Last post by gmatteo
Thu Dec 10, 2020 2:24 am
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Molecules in Abinit [SOLVED]
by sponce » Wed Dec 02, 2020 5:06 pmThis topic was posted 1238 days ago - 2 Replies
- 11961 Views
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Last post by sponce
Thu Dec 03, 2020 10:06 am
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scf convergence issue: isolated systems in PBE + halogen elements
by marco.digennaro » Thu Nov 26, 2020 1:31 pmThis topic was posted 1244 days ago - 1 Replies
- 7151 Views
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Last post by ebousquet
Tue Dec 01, 2020 4:15 pm
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How to perform Delta SCF calculations using ABINIT? [SOLVED]
by bp432 » Wed Oct 07, 2020 7:08 pmThis topic was posted 1294 days ago - 10 Replies
- 20327 Views
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Last post by dbennett1994
Fri Nov 20, 2020 11:32 am
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Atomic Coordinates for nanowires
by Nedhal » Fri Nov 06, 2020 2:40 pmThis topic was posted 1264 days ago - 2 Replies
- 7432 Views
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Last post by Nedhal
Fri Nov 06, 2020 3:40 pm
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9.2.1 scf error: Attempting to invert real(8) 3x3 array
by Gang Tang » Sat Oct 10, 2020 9:57 amThis topic was posted 1291 days ago - 5 Replies
- 10349 Views
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Last post by gonze
Fri Oct 16, 2020 7:03 pm
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