Ground state

Moderator: bguster

Locked

1353 topics

Page 9 of 55
- Jump to page:
Previous
1
…
7
8
9
10
11
…
55
Next

Announcements

Replies

Views

Last post

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

0 Replies

126871 Views

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

Topics

Replies

Views

Last post

PDOS and Bandstructure

Last post by Annelinde « Thu Jul 26, 2018 12:06 pm
Replies: 1
by Fatmala » Thu Jan 25, 2018 8:11 am
This topic was posted 2430 days ago

1 Replies

2335 Views

Last post by Annelinde
Thu Jul 26, 2018 12:06 pm
Selective ion fixing during the structural relaxation

Last post by Annelinde « Thu Jul 26, 2018 11:54 am
Replies: 1
by bradraj » Sat Jul 14, 2018 7:20 am
This topic was posted 2260 days ago

1 Replies

1897 Views

Last post by Annelinde
Thu Jul 26, 2018 11:54 am
Density went < 0 for norm conserving PPs

Last post by Annelinde « Thu Jul 26, 2018 11:37 am
Replies: 1
by kdd » Mon Jun 12, 2017 11:26 am
This topic was posted 2657 days ago

1 Replies

2380 Views

Last post by Annelinde
Thu Jul 26, 2018 11:37 am
Improve efficiency in bulk water calculation

Last post by Annelinde « Thu Jul 26, 2018 11:12 am
Replies: 1
by Daniel_M » Fri Dec 01, 2017 1:00 pm
This topic was posted 2485 days ago

1 Replies

2375 Views

Last post by Annelinde
Thu Jul 26, 2018 11:12 am
BUG: vdw_xc does not do anything abinit 8.6.1 (and earlier?)

Last post by recohen « Wed Jul 25, 2018 10:29 am
Replies: 3
by recohen » Wed Dec 27, 2017 11:14 pm
This topic was posted 2459 days ago

3 Replies

3715 Views

Last post by recohen
Wed Jul 25, 2018 10:29 am
plotting Band structure

Last post by zahida « Mon Jul 23, 2018 4:55 pm
Replies: 1
by nouria.aouail » Thu May 24, 2018 10:04 am
This topic was posted 2311 days ago

1 Replies

1957 Views

Last post by zahida
Mon Jul 23, 2018 4:55 pm
Selective atom ecut parameter and a global ecut ?

Last post by bradraj « Sat Jul 14, 2018 7:16 am

by bradraj » Sat Jul 14, 2018 7:16 am
This topic was posted 2260 days ago

0 Replies

2130 Views

Last post by bradraj
Sat Jul 14, 2018 7:16 am
Remanent magnetization?

Last post by Iraola « Wed Jul 11, 2018 8:33 am

by Iraola » Wed Jul 11, 2018 8:33 am
This topic was posted 2263 days ago

0 Replies

2427 Views

Last post by Iraola
Wed Jul 11, 2018 8:33 am
Electronic convergence influenced by parallelisation

Last post by Annelinde « Mon Jul 09, 2018 12:04 pm

by Annelinde » Mon Jul 09, 2018 12:04 pm
This topic was posted 2265 days ago

0 Replies

2443 Views

Last post by Annelinde
Mon Jul 09, 2018 12:04 pm
Use of hybrid functionals [SOLVED]

Last post by essaybox « Fri Jul 06, 2018 7:29 am
Replies: 5
by bmatt » Tue Aug 19, 2014 10:50 pm
This topic was posted 3685 days ago

5 Replies

10324 Views

Last post by essaybox
Fri Jul 06, 2018 7:29 am
hybrid functional use

Last post by Rita Maji « Mon Jul 02, 2018 2:35 pm

by Rita Maji » Mon Jul 02, 2018 2:35 pm
This topic was posted 2272 days ago

0 Replies

2424 Views

Last post by Rita Maji
Mon Jul 02, 2018 2:35 pm
electron phonon coupling supercell

Last post by venky « Tue Jun 19, 2018 6:11 pm
Replies: 3
by salahs_2002 » Fri May 25, 2018 9:57 am
This topic was posted 2310 days ago

3 Replies

3105 Views

Last post by venky
Tue Jun 19, 2018 6:11 pm
calculating energies from NSCF run

Last post by jzwanzig « Sat Jun 16, 2018 4:04 pm
Replies: 1
by koalad » Tue Jun 05, 2018 4:27 pm
This topic was posted 2299 days ago

1 Replies

2246 Views

Last post by jzwanzig
Sat Jun 16, 2018 4:04 pm
how to start from initial charge density in SCF calc.

Last post by jzwanzig « Sat Jun 16, 2018 4:02 pm
Replies: 1
by koalad » Mon Jun 11, 2018 7:21 am
This topic was posted 2293 days ago

1 Replies

2350 Views

Last post by jzwanzig
Sat Jun 16, 2018 4:02 pm
Write a structure to the input file

Last post by jzwanzig « Sat Jun 16, 2018 4:00 pm
Replies: 1
by rybakov-ks » Fri Jun 15, 2018 4:30 pm
This topic was posted 2289 days ago

1 Replies

2182 Views

Last post by jzwanzig
Sat Jun 16, 2018 4:00 pm
Bug? Trying to use B3LYP

Last post by cespejo « Wed Jun 06, 2018 6:37 pm
Replies: 3
by horsfielda » Mon Feb 12, 2018 10:10 pm
This topic was posted 2412 days ago

3 Replies

3439 Views

Last post by cespejo
Wed Jun 06, 2018 6:37 pm
Energy in NSCF calculations

Last post by koalad « Wed Jun 06, 2018 4:13 pm

by koalad » Wed Jun 06, 2018 4:13 pm
This topic was posted 2298 days ago

0 Replies

2218 Views

Last post by koalad
Wed Jun 06, 2018 4:13 pm
PAW calculations output

Last post by CHILL « Tue Jun 05, 2018 11:50 am

by CHILL » Tue Jun 05, 2018 11:50 am
This topic was posted 2299 days ago

0 Replies

2149 Views

Last post by CHILL
Tue Jun 05, 2018 11:50 am
Potentials between energy groups?

Last post by ebousquet « Sun May 27, 2018 8:46 am
Replies: 1
by baisxun » Thu May 24, 2018 5:13 pm
This topic was posted 2311 days ago

1 Replies

1662 Views

Last post by ebousquet
Sun May 27, 2018 8:46 am
Fatbands M label [SOLVED]

Last post by Iraola « Fri May 25, 2018 4:00 pm
Replies: 3
by Iraola » Sun May 20, 2018 6:52 pm
This topic was posted 2315 days ago

3 Replies

5394 Views

Last post by Iraola
Fri May 25, 2018 4:00 pm
hexagonal and rhombohedral

Last post by monia « Thu May 17, 2018 2:11 pm
Replies: 2
by monia » Wed Feb 21, 2018 3:03 pm
This topic was posted 2403 days ago

2 Replies

2559 Views

Last post by monia
Thu May 17, 2018 2:11 pm
DOS energy interval

Last post by gmatteo « Tue May 15, 2018 5:34 pm
Replies: 1
by Nahasamapetilah » Tue May 15, 2018 3:58 pm
This topic was posted 2320 days ago

1 Replies

1862 Views

Last post by gmatteo
Tue May 15, 2018 5:34 pm
input charge density generation [SOLVED]

Last post by koalad « Mon May 14, 2018 10:03 pm
Replies: 4
by koalad » Mon May 14, 2018 4:59 pm
This topic was posted 2321 days ago

4 Replies

4238 Views

Last post by koalad
Mon May 14, 2018 10:03 pm
Symmetry in ABINIT

Last post by gmatteo « Sun May 13, 2018 9:22 pm
Replies: 3
by CHILL » Sun May 13, 2018 11:58 am
This topic was posted 2322 days ago

3 Replies

3488 Views

Last post by gmatteo
Sun May 13, 2018 9:22 pm
mpi issues [SOLVED]

Last post by baisxun « Wed May 09, 2018 9:47 pm
Replies: 6
by baisxun » Mon May 07, 2018 3:10 am
This topic was posted 2329 days ago

6 Replies

6597 Views

Last post by baisxun
Wed May 09, 2018 9:47 pm

Locked

1353 topics

Page 9 of 55
- Jump to page:
Previous
1
…
7
8
9
10
11
…
55
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum