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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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band structure of Cobalt monolayer

Last post by bguster « Mon Jun 28, 2021 11:06 am
Replies: 1
by Abdullah137 » Fri Jun 11, 2021 4:22 am
This topic was posted 1197 days ago

1 Replies

82447 Views

Last post by bguster
Mon Jun 28, 2021 11:06 am
Error in input file [SOLVED]

Last post by shamkhali « Fri May 07, 2021 4:33 pm
Replies: 1
by shamkhali » Fri May 07, 2021 1:36 am
This topic was posted 1233 days ago

1 Replies

13833 Views

Last post by shamkhali
Fri May 07, 2021 4:33 pm
Comparing pwscf and Abinit MPI SCF calculations

Last post by yatest « Tue Mar 30, 2021 5:59 pm

by yatest » Tue Mar 30, 2021 5:59 pm
This topic was posted 1270 days ago

0 Replies

20388 Views

Last post by yatest
Tue Mar 30, 2021 5:59 pm
Tolerance to allow the computation of the eigenvectors of the SCF cycle for a supercell

Last post by Salah « Mon Mar 29, 2021 7:32 am
Replies: 1
by Salah » Sat Mar 06, 2021 10:49 pm
This topic was posted 1294 days ago

1 Replies

9136 Views

Last post by Salah
Mon Mar 29, 2021 7:32 am
DOS, Hybrids and DEN calculations

Last post by lorenzo.sponza « Fri Mar 26, 2021 6:33 pm

by lorenzo.sponza » Fri Mar 26, 2021 6:33 pm
This topic was posted 1274 days ago

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Last post by lorenzo.sponza
Fri Mar 26, 2021 6:33 pm
SCF convergence deteriorates during structural relaxation resulting in crash

Last post by kalkm1 « Sun Mar 21, 2021 12:18 pm
Replies: 3
by kalkm1 » Mon Mar 15, 2021 12:43 pm
This topic was posted 1285 days ago

3 Replies

10127 Views

Last post by kalkm1
Sun Mar 21, 2021 12:18 pm
Relaxation of the lattice paramters and atomic positions with NEB method

Last post by Jamil Missaoui « Wed Mar 17, 2021 11:09 am

by Jamil Missaoui » Wed Mar 17, 2021 11:09 am
This topic was posted 1283 days ago

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Last post by Jamil Missaoui
Wed Mar 17, 2021 11:09 am
Vesta Plot

Last post by gmatteo « Tue Mar 16, 2021 12:42 am
Replies: 1
by positronner » Fri Feb 26, 2021 11:40 am
This topic was posted 1302 days ago

1 Replies

8796 Views

Last post by gmatteo
Tue Mar 16, 2021 12:42 am
Band Structure and Fermi Energy Level

Last post by hameed1987 « Wed Feb 10, 2021 6:02 pm

by hameed1987 » Wed Feb 10, 2021 6:02 pm
This topic was posted 1318 days ago

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Last post by hameed1987
Wed Feb 10, 2021 6:02 pm
Supercell with Europium impurity : Convergence problem [SOLVED]

Last post by jbouquiaux « Mon Jan 25, 2021 8:49 am
Replies: 1
by jbouquiaux » Mon Jan 18, 2021 11:08 am
This topic was posted 1341 days ago

1 Replies

14385 Views

Last post by jbouquiaux
Mon Jan 25, 2021 8:49 am
Energy barrier between two crystal polymorphs (NEB)

Last post by jackbaker « Thu Jan 21, 2021 1:12 am

by jackbaker » Thu Jan 21, 2021 1:12 am
This topic was posted 1339 days ago

0 Replies

21272 Views

Last post by jackbaker
Thu Jan 21, 2021 1:12 am
Problems related to calculation of momentum distribution of Fe-Cu

Last post by YUMA « Tue Jan 19, 2021 4:57 am

by YUMA » Tue Jan 19, 2021 4:57 am
This topic was posted 1340 days ago

0 Replies

8957 Views

Last post by YUMA
Tue Jan 19, 2021 4:57 am
relaxation of fcc bulk lattice results in hcp coordinates

Last post by erichmond « Sun Jan 10, 2021 11:44 pm

by erichmond » Sun Jan 10, 2021 11:44 pm
This topic was posted 1349 days ago

0 Replies

9290 Views

Last post by erichmond
Sun Jan 10, 2021 11:44 pm
KSS file not getting created

Last post by nsingh3 « Tue Dec 29, 2020 6:03 pm

by nsingh3 » Tue Dec 29, 2020 6:03 pm
This topic was posted 1361 days ago

0 Replies

9168 Views

Last post by nsingh3
Tue Dec 29, 2020 6:03 pm
Thermal conductivity calculation using abinit+phono3py

Last post by tangds « Tue Dec 29, 2020 1:47 pm
Replies: 4
by tangds » Sun Dec 20, 2020 6:47 am
This topic was posted 1370 days ago

4 Replies

10737 Views

Last post by tangds
Tue Dec 29, 2020 1:47 pm
extremely large forces outputted by abinit for the equilibrium structure

Last post by gonze « Thu Dec 24, 2020 5:00 pm
Replies: 1
by whw19850730 » Thu Dec 17, 2020 4:19 am
This topic was posted 1373 days ago

1 Replies

8630 Views

Last post by gonze
Thu Dec 24, 2020 5:00 pm
Posdoppler variable missing

Last post by gmatteo « Tue Dec 22, 2020 12:54 am
Replies: 3
by Error123 » Thu Dec 03, 2020 10:08 pm
This topic was posted 1387 days ago

3 Replies

10613 Views

Last post by gmatteo
Tue Dec 22, 2020 12:54 am
structural optimization of monolayer In2Se3

Last post by whw19850730 « Thu Dec 17, 2020 8:23 pm
Replies: 1
by suman » Fri Feb 07, 2020 6:56 pm
This topic was posted 1687 days ago

1 Replies

8443 Views

Last post by whw19850730
Thu Dec 17, 2020 8:23 pm
DOS and PDOS question

Last post by wei « Thu Dec 17, 2020 5:08 am

by wei » Thu Dec 17, 2020 5:08 am
This topic was posted 1373 days ago

0 Replies

8782 Views

Last post by wei
Thu Dec 17, 2020 5:08 am
How do you calculate defect formation energies?

Last post by gmatteo « Thu Dec 10, 2020 2:24 am
Replies: 3
by kalkm1 » Wed Nov 25, 2020 4:27 pm
This topic was posted 1395 days ago

3 Replies

11266 Views

Last post by gmatteo
Thu Dec 10, 2020 2:24 am
Molecules in Abinit [SOLVED]

Last post by sponce « Thu Dec 03, 2020 10:06 am
Replies: 2
by sponce » Wed Dec 02, 2020 5:06 pm
This topic was posted 1388 days ago

2 Replies

16519 Views

Last post by sponce
Thu Dec 03, 2020 10:06 am
scf convergence issue: isolated systems in PBE + halogen elements

Last post by ebousquet « Tue Dec 01, 2020 4:15 pm
Replies: 1
by marco.digennaro » Thu Nov 26, 2020 1:31 pm
This topic was posted 1394 days ago

1 Replies

8868 Views

Last post by ebousquet
Tue Dec 01, 2020 4:15 pm
How to perform Delta SCF calculations using ABINIT? [SOLVED]

Last post by dbennett1994 « Fri Nov 20, 2020 11:32 am
Replies: 10
by bp432 » Wed Oct 07, 2020 7:08 pm
This topic was posted 1444 days ago

10 Replies

26369 Views

Last post by dbennett1994
Fri Nov 20, 2020 11:32 am
Atomic Coordinates for nanowires

Last post by Nedhal « Fri Nov 06, 2020 3:40 pm
Replies: 2
by Nedhal » Fri Nov 06, 2020 2:40 pm
This topic was posted 1414 days ago

2 Replies

9239 Views

Last post by Nedhal
Fri Nov 06, 2020 3:40 pm
9.2.1 scf error: Attempting to invert real(8) 3x3 array

Last post by gonze « Fri Oct 16, 2020 7:03 pm
Replies: 5
by Gang Tang » Sat Oct 10, 2020 9:57 am
This topic was posted 1441 days ago

5 Replies

12744 Views

Last post by gonze
Fri Oct 16, 2020 7:03 pm

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