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Exciton Wavefunction

Last post by nsingh3 « Wed Apr 07, 2021 8:48 am
Posted in GW

by nsingh3 » Wed Apr 07, 2021 8:48 am » in GW

0 Replies

234 Views

Last post by nsingh3
Wed Apr 07, 2021 8:48 am
Abinit User-developer interaction "save-the-date" June 1 and 4, 2021

Last post by gonze « Wed Mar 31, 2021 9:44 pm
Posted in News & Announcements

by gonze » Wed Mar 31, 2021 9:44 pm » in News & Announcements

0 Replies

243 Views

Last post by gonze
Wed Mar 31, 2021 9:44 pm
ABINITv9.4.1 production release.

Last post by gonze « Wed Mar 31, 2021 9:41 pm
Posted in News & Announcements

by gonze » Wed Mar 31, 2021 9:41 pm » in News & Announcements

0 Replies

194 Views

Last post by gonze
Wed Mar 31, 2021 9:41 pm
Comparing pwscf and Abinit MPI SCF calculations

Last post by yatest « Tue Mar 30, 2021 5:59 pm
Posted in Input file

by yatest » Tue Mar 30, 2021 5:59 pm » in Input file

0 Replies

87 Views

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

Last post by dorunev « Tue Mar 30, 2021 11:30 am
Posted in Post-processing Tools

by dorunev » Tue Mar 30, 2021 11:30 am » in Post-processing Tools

0 Replies

39 Views

Last post by dorunev
Tue Mar 30, 2021 11:30 am
Questions on psp8 pseudopotential and BKB projector

Last post by stluoustc « Tue Mar 30, 2021 5:59 am
Posted in Pseudopotentials and PAW datasets

by stluoustc » Tue Mar 30, 2021 5:59 am » in Pseudopotentials and PAW datasets

0 Replies

67 Views

Last post by stluoustc
Tue Mar 30, 2021 5:59 am
Pseudopotential psp8 and psp6

Last post by stluoustc « Mon Mar 29, 2021 7:50 pm
Posted in Pseudopotentials and PAW datasets

by stluoustc » Mon Mar 29, 2021 7:50 pm » in Pseudopotentials and PAW datasets

0 Replies

19 Views

Last post by stluoustc
Mon Mar 29, 2021 7:50 pm
DOS, Hybrids and DEN calculations

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

by lorenzo.sponza » Fri Mar 26, 2021 6:33 pm » in Ground state

0 Replies

117 Views

Last post by lorenzo.sponza
Fri Mar 26, 2021 6:33 pm
Relaxation of the lattice paramters and atomic positions with NEB method

Last post by Jamil Missaoui « Wed Mar 17, 2021 11:09 am
Posted in Input file

by Jamil Missaoui » Wed Mar 17, 2021 11:09 am » in Input file

0 Replies

677 Views

Last post by Jamil Missaoui
Wed Mar 17, 2021 11:09 am
ABINIT v9.4.0 Production release

Last post by gonze « Fri Feb 26, 2021 1:32 pm
Posted in News & Announcements

by gonze » Fri Feb 26, 2021 1:32 pm » in News & Announcements

0 Replies

882 Views

Last post by gonze
Fri Feb 26, 2021 1:32 pm
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

476 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

479 Views

Last post by jackbaker
Fri Feb 19, 2021 4:59 am
Creating an .ac file

Last post by okelloamollo « Thu Feb 18, 2021 11:24 am
Posted in Configuration

by okelloamollo » Thu Feb 18, 2021 11:24 am » in Configuration

0 Replies

24 Views

Last post by okelloamollo
Thu Feb 18, 2021 11:24 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

535 Views

Last post by hameed1987
Wed Feb 10, 2021 6:02 pm
Package 'abinit' has no installation candidate

Last post by yuanjie « Fri Jan 22, 2021 3:23 am
Posted in Pseudopotentials and PAW datasets

by yuanjie » Fri Jan 22, 2021 3:23 am » in Pseudopotentials and PAW datasets

0 Replies

17 Views

Last post by yuanjie
Fri Jan 22, 2021 3:23 am
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

1157 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

795 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

773 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

1342 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

1094 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

1070 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

938 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

1490 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

953 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

1396 Views

Last post by ryne60
Wed Nov 11, 2020 2:55 pm

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