ABINIT Discussion Forums - Unanswered topics

Unanswered topics

Go to advanced search

Search found 945 matches

Page 1 of 38
- Jump to page:
1
2
3
4
5
…
38
Next

Topics

Replies

Views

Last post

Multibinit spin dynamics inconsistencies

Last post by azivkovic « Wed Feb 24, 2021 12:31 pm
Posted in Post-processing Tools

by azivkovic » Wed Feb 24, 2021 12:31 pm » in Post-processing Tools

0 Replies

24 Views

Last post by azivkovic
Wed Feb 24, 2021 12:31 pm
Calculation of dynamical matrix from single q-point after mrgddb

Last post by jackbaker « Fri Feb 19, 2021 4:59 am
Posted in Response calculations

by jackbaker » Fri Feb 19, 2021 4:59 am » in Response calculations

0 Replies

60 Views

Last post by jackbaker
Fri Feb 19, 2021 4:59 am
Band Structure and Fermi Energy Level

Last post by hameed1987 « Wed Feb 10, 2021 6:02 pm
Posted in Input file

by hameed1987 » Wed Feb 10, 2021 6:02 pm » in Input file

0 Replies

107 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
Posted in Input file

by jackbaker » Thu Jan 21, 2021 1:12 am » in Input file

0 Replies

828 Views

Last post by jackbaker
Thu Jan 21, 2021 1:12 am
How to run abipy in windows system?

Last post by Lizhengyi « Wed Jan 20, 2021 10:03 am
Posted in Post-processing Tools

by Lizhengyi » Wed Jan 20, 2021 10:03 am » in Post-processing Tools

0 Replies

400 Views

Last post by Lizhengyi
Wed Jan 20, 2021 10:03 am
Problems related to calculation of momentum distribution of Fe-Cu

Last post by YUMA « Tue Jan 19, 2021 4:57 am
Posted in Input file

by YUMA » Tue Jan 19, 2021 4:57 am » in Input file

0 Replies

393 Views

Last post by YUMA
Tue Jan 19, 2021 4:57 am
Phonon calculation about q wavevectors setting

Last post by Gang Tang « Wed Jan 13, 2021 8:21 pm
Posted in Response calculations

by Gang Tang » Wed Jan 13, 2021 8:21 pm » in Response calculations

0 Replies

939 Views

Last post by Gang Tang
Wed Jan 13, 2021 8:21 pm
relaxation of fcc bulk lattice results in hcp coordinates

Last post by erichmond « Sun Jan 10, 2021 11:44 pm
Posted in Input file

by erichmond » Sun Jan 10, 2021 11:44 pm » in Input file

0 Replies

698 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
Posted in Ground state

by nsingh3 » Tue Dec 29, 2020 6:03 pm » in Ground state

0 Replies

694 Views

Last post by nsingh3
Tue Dec 29, 2020 6:03 pm
Finite electric field calculations with PAW

Last post by tangds « Thu Dec 24, 2020 2:11 pm
Posted in Response calculations

by tangds » Thu Dec 24, 2020 2:11 pm » in Response calculations

0 Replies

532 Views

Last post by tangds
Thu Dec 24, 2020 2:11 pm
Bug related to piezoelectric constants

Last post by jzwanzig « Wed Dec 23, 2020 4:11 pm
Posted in Proposed code modifications

by jzwanzig » Wed Dec 23, 2020 4:11 pm » in Proposed code modifications

0 Replies

860 Views

Last post by jzwanzig
Wed Dec 23, 2020 4:11 pm
DOS and PDOS question

Last post by wei « Thu Dec 17, 2020 5:08 am
Posted in Input file

by wei » Thu Dec 17, 2020 5:08 am » in Input file

0 Replies

555 Views

Last post by wei
Thu Dec 17, 2020 5:08 am
JTH PAW atomic datasets for Cr and Cu

Last post by ryne60 « Wed Nov 11, 2020 2:55 pm
Posted in Pseudopotentials and PAW datasets

by ryne60 » Wed Nov 11, 2020 2:55 pm » in Pseudopotentials and PAW datasets

0 Replies

971 Views

Last post by ryne60
Wed Nov 11, 2020 2:55 pm
ABINIT v9.2.2 Production release

Last post by gonze « Wed Nov 11, 2020 2:25 pm
Posted in News & Announcements

by gonze » Wed Nov 11, 2020 2:25 pm » in News & Announcements

0 Replies

1647 Views

Last post by gonze
Wed Nov 11, 2020 2:25 pm
ABINIT v9.2.1 Production release

Last post by gonze « Fri Oct 02, 2020 6:09 am
Posted in News & Announcements

by gonze » Fri Oct 02, 2020 6:09 am » in News & Announcements

0 Replies

1840 Views

Last post by gonze
Fri Oct 02, 2020 6:09 am
Optics run

Last post by hameed1987 « Thu Sep 17, 2020 5:40 pm
Posted in Input file

by hameed1987 » Thu Sep 17, 2020 5:40 pm » in Input file

0 Replies

1540 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
Posted in Input file

by jianzhifu » Fri Sep 11, 2020 3:05 am » in Input file

0 Replies

1449 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
Posted in Input file

by zjuer » Tue Sep 01, 2020 4:33 pm » in Input file

0 Replies

1363 Views

Last post by zjuer
Tue Sep 01, 2020 4:33 pm
HDF5 library version mismatched error

Last post by polariton « Fri Aug 28, 2020 3:02 am
Posted in Post-processing Tools

by polariton » Fri Aug 28, 2020 3:02 am » in Post-processing Tools

0 Replies

848 Views

Last post by polariton
Fri Aug 28, 2020 3:02 am
Catastrophically heterogenous memory consumption in large GS run

Last post by jbde « Fri Aug 14, 2020 5:41 pm
Posted in Ground state

by jbde » Fri Aug 14, 2020 5:41 pm » in Ground state

0 Replies

1645 Views

Last post by jbde
Fri Aug 14, 2020 5:41 pm
Plane Wave Decomposition of High Energy Orbtial

Last post by tdaworld « Wed Jul 29, 2020 2:58 pm
Posted in Ground state

by tdaworld » Wed Jul 29, 2020 2:58 pm » in Ground state

0 Replies

1603 Views

Last post by tdaworld
Wed Jul 29, 2020 2:58 pm
How to launch GUI jar file

Last post by alexx « Sat Jul 25, 2020 5:32 pm
Posted in Advanced user interfaces

by alexx » Sat Jul 25, 2020 5:32 pm » in Advanced user interfaces

0 Replies

1458 Views

Last post by alexx
Sat Jul 25, 2020 5:32 pm
band gap of RbGeCl3 using GW

Last post by new_986 « Thu Jul 16, 2020 3:45 pm
Posted in Theory

by new_986 » Thu Jul 16, 2020 3:45 pm » in Theory

0 Replies

1682 Views

Last post by new_986
Thu Jul 16, 2020 3:45 pm
Integer magnetic moment for half-metals

Last post by mhoffmann84 « Thu Jul 09, 2020 12:00 pm
Posted in Ground state

by mhoffmann84 » Thu Jul 09, 2020 12:00 pm » in Ground state

0 Replies

1630 Views

Last post by mhoffmann84
Thu Jul 09, 2020 12:00 pm
Erro

Last post by hameed1987 « Sun Jun 28, 2020 11:10 am
Posted in Input file

by hameed1987 » Sun Jun 28, 2020 11:10 am » in Input file

0 Replies

1604 Views

Last post by hameed1987
Sun Jun 28, 2020 11:10 am

Search found 945 matches

Page 1 of 38
- Jump to page:
1
2
3
4
5
…
38
Next

Go to advanced search