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Problems related to calculation of momentum distribution of Fe-Cu

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

by YUMA » Tue Jan 19, 2021 4:57 am » in Ground state

0 Replies

2700 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

3270 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 Ground state

by erichmond » Sun Jan 10, 2021 11:44 pm » in Ground state

0 Replies

3023 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

2897 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

2618 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 Improving ABINIT

by jzwanzig » Wed Dec 23, 2020 4:11 pm » in Improving ABINIT

0 Replies

5008 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 Ground state

by wei » Thu Dec 17, 2020 5:08 am » in Ground state

0 Replies

2570 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 Link to other codes

by ryne60 » Wed Nov 11, 2020 2:55 pm » in Link to other codes

0 Replies

3090 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

4554 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

4717 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 Ground state

by hameed1987 » Thu Sep 17, 2020 5:40 pm » in Ground state

0 Replies

2732 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 Ground state

by jianzhifu » Fri Sep 11, 2020 3:05 am » in Ground state

0 Replies

2739 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 Ground state

by zjuer » Tue Sep 01, 2020 4:33 pm » in Ground state

0 Replies

2718 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 Other tools and postprocessing in ABINIT

by polariton » Fri Aug 28, 2020 3:02 am » in Other tools and postprocessing in ABINIT

0 Replies

2683 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

2612 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

2520 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 Python interfacing : Abipy ecosystem

by alexx » Sat Jul 25, 2020 5:32 pm » in Python interfacing : Abipy ecosystem

0 Replies

5461 Views

Last post by alexx
Sat Jul 25, 2020 5:32 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

2547 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 Ground state

by hameed1987 » Sun Jun 28, 2020 11:10 am » in Ground state

0 Replies

2571 Views

Last post by hameed1987
Sun Jun 28, 2020 11:10 am
Bang gap of RbGeCl3

Last post by new_986 « Sun Jun 28, 2020 10:45 am
Posted in Many-body perturbation theory

by new_986 » Sun Jun 28, 2020 10:45 am » in Many-body perturbation theory

0 Replies

3431 Views

Last post by new_986
Sun Jun 28, 2020 10:45 am
One PhD position related to ABINIT

Last post by gonze « Mon Jun 22, 2020 5:19 pm
Posted in Jobs and Other Announcements

by gonze » Mon Jun 22, 2020 5:19 pm » in Jobs and Other Announcements

0 Replies

6975 Views

Last post by gonze
Mon Jun 22, 2020 5:19 pm
Ground state calculation of HCP/FCC Co

Last post by mxwalbert « Fri Jun 19, 2020 1:16 pm
Posted in Ground state

by mxwalbert » Fri Jun 19, 2020 1:16 pm » in Ground state

0 Replies

2649 Views

Last post by mxwalbert
Fri Jun 19, 2020 1:16 pm
kptopt in input for Wannier90

Last post by resu « Wed Jun 10, 2020 10:58 am
Posted in Ground state

by resu » Wed Jun 10, 2020 10:58 am » in Ground state

0 Replies

2233 Views

Last post by resu
Wed Jun 10, 2020 10:58 am
ERROR kptopt=0 W90

Last post by resu « Sun Jun 07, 2020 2:28 pm
Posted in Link to other codes

by resu » Sun Jun 07, 2020 2:28 pm » in Link to other codes

0 Replies

5120 Views

Last post by resu
Sun Jun 07, 2020 2:28 pm
ERROR kptopt=0 W90

Last post by resu « Sun Jun 07, 2020 2:18 pm
Posted in Link to other codes

by resu » Sun Jun 07, 2020 2:18 pm » in Link to other codes

0 Replies

3022 Views

Last post by resu
Sun Jun 07, 2020 2:18 pm

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