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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Platform specific questions

by pouillon » Fri Aug 09, 2013 12:56 pm » in Platform specific questions
This topic was posted 2810 days ago

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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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 20 days ago

0 Replies

87 Views

Last post by yatest
Tue Mar 30, 2021 5:59 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 35 days ago

3 Replies

609 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 33 days ago

0 Replies

677 Views

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 52 days ago

1 Replies

449 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 68 days ago

0 Replies

535 Views

Last post by hameed1987
Wed Feb 10, 2021 6:02 pm
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 89 days ago

0 Replies

1157 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 91 days ago

0 Replies

773 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 99 days ago

0 Replies

1094 Views

Last post by erichmond
Sun Jan 10, 2021 11:44 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 124 days ago

1 Replies

291 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 137 days ago

3 Replies

800 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 437 days ago

1 Replies

613 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 124 days ago

0 Replies

953 Views

Last post by wei
Thu Dec 17, 2020 5:08 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 138 days ago

2 Replies

329 Views

Last post by sponce
Thu Dec 03, 2020 10:06 am
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 194 days ago

10 Replies

1320 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 164 days ago

2 Replies

381 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 191 days ago

5 Replies

670 Views

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

3 Replies

1296 Views

Last post by ebousquet
Tue Oct 13, 2020 3:50 pm
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 214 days ago

1 Replies

558 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 214 days ago

0 Replies

1882 Views

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 221 days ago

0 Replies

1821 Views

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 230 days ago

0 Replies

1751 Views

Last post by zjuer
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 253 days ago

3 Replies

779 Views

Last post by ebousquet
Sat Aug 29, 2020 5:52 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 280 days ago

1 Replies

393 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 278 days ago

1 Replies

381 Views

Last post by ebousquet
Sun Aug 09, 2020 4:27 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 272 days ago

1 Replies

502 Views

Last post by ebousquet
Sun Jul 26, 2020 5:30 pm

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