Ground state

Moderator: bguster

Locked

1353 topics

Page 8 of 55
- Jump to page:
Previous
1
…
6
7
8
9
10
…
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

monitor temperature during molecular dynamics

Last post by Riping « Wed Oct 24, 2018 2:50 pm
Replies: 4
by sschmerler » Mon Jan 10, 2011 4:59 pm
This topic was posted 5002 days ago

4 Replies

4994 Views

Last post by Riping
Wed Oct 24, 2018 2:50 pm
Trying to calculate DOS for Ce4O8

Last post by shalom « Mon Oct 22, 2018 7:06 pm
Replies: 1
by DrMcTaco » Thu Nov 21, 2013 6:56 pm
This topic was posted 3956 days ago

1 Replies

2524 Views

Last post by shalom
Mon Oct 22, 2018 7:06 pm
Orbital distribution [SOLVED]

Last post by elia « Sat Oct 20, 2018 7:23 pm
Replies: 2
by aria » Wed Oct 17, 2018 7:15 pm
This topic was posted 2165 days ago

2 Replies

3647 Views

Last post by elia
Sat Oct 20, 2018 7:23 pm
electronic cintrubutions to energy

Last post by ziggery « Wed Oct 17, 2018 9:41 am

by ziggery » Wed Oct 17, 2018 9:41 am
This topic was posted 2165 days ago

0 Replies

2217 Views

Last post by ziggery
Wed Oct 17, 2018 9:41 am
pawovlp is not equal to 5 per default

Last post by ebousquet « Wed Oct 17, 2018 8:58 am
Replies: 3
by woffermans » Tue Oct 09, 2018 1:35 pm
This topic was posted 2173 days ago

3 Replies

2526 Views

Last post by ebousquet
Wed Oct 17, 2018 8:58 am
convergence speed

Last post by ebousquet « Wed Oct 17, 2018 8:53 am
Replies: 3
by woffermans » Tue Oct 02, 2018 9:23 am
This topic was posted 2180 days ago

3 Replies

2540 Views

Last post by ebousquet
Wed Oct 17, 2018 8:53 am
unit cell is not primitive [SOLVED]

Last post by Najmeh « Tue Oct 16, 2018 10:43 pm
Replies: 2
by Najmeh » Mon Oct 08, 2018 3:14 pm
This topic was posted 2174 days ago

2 Replies

3095 Views

Last post by Najmeh
Tue Oct 16, 2018 10:43 pm
NEB: does it change the angdeg and acell after each loop?

Last post by ebousquet « Tue Oct 09, 2018 5:55 pm
Replies: 3
by johnbrehm » Mon Sep 10, 2018 4:02 pm
This topic was posted 2202 days ago

3 Replies

3062 Views

Last post by ebousquet
Tue Oct 09, 2018 5:55 pm
structure relaxation problem

Last post by ebousquet « Tue Oct 09, 2018 5:48 pm
Replies: 1
by Jamil Missaoui » Mon Oct 01, 2018 2:24 pm
This topic was posted 2181 days ago

1 Replies

1890 Views

Last post by ebousquet
Tue Oct 09, 2018 5:48 pm
stress tensor output: 6 tensor components; not 9?

Last post by gmatteo « Sun Oct 07, 2018 2:05 pm
Replies: 1
by johnbrehm » Thu Oct 04, 2018 9:19 pm
This topic was posted 2178 days ago

1 Replies

1809 Views

Last post by gmatteo
Sun Oct 07, 2018 2:05 pm
How to nonlinear calculation? [SOLVED]

Last post by wangxy « Fri Oct 05, 2018 7:18 am
Replies: 2
by nayoung » Mon Jan 19, 2015 11:32 am
This topic was posted 3532 days ago

2 Replies

4772 Views

Last post by wangxy
Fri Oct 05, 2018 7:18 am
Is 'getden' working properly? [SOLVED]

Last post by cgs12 « Tue Sep 25, 2018 11:30 pm
Replies: 2
by cgs12 » Tue Sep 25, 2018 1:11 am
This topic was posted 2188 days ago

2 Replies

3379 Views

Last post by cgs12
Tue Sep 25, 2018 11:30 pm
stress tensor: stress.F90

Last post by johnbrehm « Thu Sep 13, 2018 4:57 pm

by johnbrehm » Thu Sep 13, 2018 4:57 pm
This topic was posted 2199 days ago

0 Replies

2465 Views

Last post by johnbrehm
Thu Sep 13, 2018 4:57 pm
Availability of vdW-DF1/2 functionals

Last post by cespejo « Thu Sep 13, 2018 2:51 pm
Replies: 10
by fabiano.corsetti » Mon Sep 19, 2011 2:54 pm
This topic was posted 4750 days ago

10 Replies

9219 Views

Last post by cespejo
Thu Sep 13, 2018 2:51 pm
Heterogeneous catalysis ?

Last post by woffermans « Thu Sep 13, 2018 9:02 am
Replies: 2
by gonze » Tue May 04, 2010 9:53 am
This topic was posted 5253 days ago

2 Replies

4397 Views

Last post by woffermans
Thu Sep 13, 2018 9:02 am
NEB failure

Last post by torrent « Wed Sep 12, 2018 3:32 pm
Replies: 2
by johnbrehm » Sun Sep 09, 2018 8:24 pm
This topic was posted 2203 days ago

2 Replies

2595 Views

Last post by torrent
Wed Sep 12, 2018 3:32 pm
Parameters about parallelism

Last post by ebousquet « Wed Sep 12, 2018 11:51 am
Replies: 1
by Abinit » Thu Aug 16, 2018 5:32 pm
This topic was posted 2227 days ago

1 Replies

2226 Views

Last post by ebousquet
Wed Sep 12, 2018 11:51 am
Total energy calculation under Constant E field for metals

Last post by ebousquet « Wed Sep 12, 2018 11:34 am
Replies: 1
by hss » Thu Aug 30, 2018 3:33 pm
This topic was posted 2213 days ago

1 Replies

2209 Views

Last post by ebousquet
Wed Sep 12, 2018 11:34 am
k point generation for hexagonal compounds

Last post by elia « Thu Aug 23, 2018 8:20 pm

by elia » Thu Aug 23, 2018 8:20 pm
This topic was posted 2220 days ago

0 Replies

2990 Views

Last post by elia
Thu Aug 23, 2018 8:20 pm
Crashing with Paw & iprcel /= 0

Last post by jrussell « Thu Aug 09, 2018 7:34 am
Replies: 7
by JEJohns » Thu Jan 30, 2014 9:06 pm
This topic was posted 3886 days ago

7 Replies

7581 Views

Last post by jrussell
Thu Aug 09, 2018 7:34 am
Body Centered Tetragonal Carbon

Last post by arjunvarmar « Mon Aug 06, 2018 12:43 pm

by arjunvarmar » Mon Aug 06, 2018 12:43 pm
This topic was posted 2237 days ago

0 Replies

2521 Views

Last post by arjunvarmar
Mon Aug 06, 2018 12:43 pm
Polarisation for AlAs

Last post by srajpand « Fri Aug 03, 2018 5:08 am
Replies: 2
by srajpand » Wed Aug 01, 2018 5:43 pm
This topic was posted 2242 days ago

2 Replies

2995 Views

Last post by srajpand
Fri Aug 03, 2018 5:08 am
graphene spin polarization

Last post by Ahmed_BLG « Thu Aug 02, 2018 7:21 pm

by Ahmed_BLG » Thu Aug 02, 2018 7:21 pm
This topic was posted 2241 days ago

0 Replies

2259 Views

Last post by Ahmed_BLG
Thu Aug 02, 2018 7:21 pm
help to correct input file

Last post by nparikh102 « Wed Aug 01, 2018 7:30 pm
Replies: 18
by ziedhosni » Fri Dec 30, 2011 11:46 am
This topic was posted 4648 days ago

18 Replies

13031 Views

Last post by nparikh102
Wed Aug 01, 2018 7:30 pm
missmatch in npw and mpw

Last post by ianabinit « Sat Jul 28, 2018 8:26 pm
Replies: 2
by ianabinit » Mon Jul 23, 2018 8:15 pm
This topic was posted 2251 days ago

2 Replies

3448 Views

Last post by ianabinit
Sat Jul 28, 2018 8:26 pm

Locked

1353 topics

Page 8 of 55
- Jump to page:
Previous
1
…
6
7
8
9
10
…
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