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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 34234 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- Topics
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- Reduce memory demand in rf
by roginovicci » Wed Nov 21, 2018 12:03 pm - 0 Replies
- 2 Views
- Last post by roginovicci
Wed Nov 21, 2018 12:03 pm
- Reduce memory demand in rf
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- Density went too small WARNING
by woffermans » Wed Nov 07, 2018 9:28 am - 2 Replies
- 66 Views
- Last post by woffermans
Thu Nov 15, 2018 11:27 am
- Density went too small WARNING
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- Optimization of the MoSSe alloy?
by elia » Mon Nov 12, 2018 4:53 pm
- 0 Replies
- 36 Views
- Last post by elia
Mon Nov 12, 2018 4:53 pm
- Optimization of the MoSSe alloy?
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- Atomic structure relaxation
by cgs12 » Fri Nov 02, 2018 9:47 pm - 4 Replies
- 115 Views
- Last post by Boris
Mon Nov 12, 2018 2:02 pm
- Atomic structure relaxation
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- Positron lifetime in a supercell
by robinson2738 » Fri Nov 02, 2018 3:42 pm - 0 Replies
- 49 Views
- Last post by robinson2738
Fri Nov 02, 2018 3:42 pm
- Positron lifetime in a supercell
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- How I get optimized structure in tetragonal phase
by Mutta » Fri Feb 19, 2010 12:39 pm - 12 Replies
- 4158 Views
- Last post by new_986
Fri Nov 02, 2018 10:47 am
- How I get optimized structure in tetragonal phase
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- Optimization of the tetragonal phase?
by new_986 » Thu Nov 01, 2018 9:39 am - 0 Replies
- 58 Views
- Last post by new_986
Thu Nov 01, 2018 9:39 am
- Optimization of the tetragonal phase?
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- Alchemical method
by aria » Wed Oct 31, 2018 4:31 pm - 0 Replies
- 61 Views
- Last post by aria
Wed Oct 31, 2018 4:31 pm
- Alchemical method
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- large SCF iteration time: wrong paralellism parameters?
by Artem » Wed Oct 17, 2018 6:07 pm
- 3 Replies
- 132 Views
- Last post by Artem
Fri Oct 26, 2018 10:14 am
- large SCF iteration time: wrong paralellism parameters?
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- monitor temperature during molecular dynamics
by sschmerler » Mon Jan 10, 2011 5:59 pm - 4 Replies
- 1844 Views
- Last post by Riping
Wed Oct 24, 2018 2:50 pm
- monitor temperature during molecular dynamics
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- Trying to calculate DOS for Ce4O8
by DrMcTaco » Thu Nov 21, 2013 7:56 pm - 1 Replies
- 706 Views
- Last post by shalom
Mon Oct 22, 2018 7:06 pm
- Trying to calculate DOS for Ce4O8
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- Orbital distribution
by aria » Wed Oct 17, 2018 7:15 pm - 2 Replies
- 103 Views
- Last post by elia
Sat Oct 20, 2018 7:23 pm
- Orbital distribution
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- pawovlp is not equal to 5 per default
by woffermans » Tue Oct 09, 2018 1:35 pm - 3 Replies
- 104 Views
- Last post by ebousquet
Wed Oct 17, 2018 8:58 am
- pawovlp is not equal to 5 per default
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- convergence speed
by woffermans » Tue Oct 02, 2018 9:23 am
- 3 Replies
- 139 Views
- Last post by ebousquet
Wed Oct 17, 2018 8:53 am
- convergence speed
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- unit cell is not primitive [SOLVED]
by Najmeh » Mon Oct 08, 2018 3:14 pm
- 2 Replies
- 112 Views
- Last post by Najmeh
Tue Oct 16, 2018 10:43 pm
- unit cell is not primitive [SOLVED]
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- NEB: does it change the angdeg and acell after each loop?
by johnbrehm » Mon Sep 10, 2018 4:02 pm - 3 Replies
- 195 Views
- Last post by ebousquet
Tue Oct 09, 2018 5:55 pm
- NEB: does it change the angdeg and acell after each loop?
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- structure relaxation problem
by Jamil Missaoui » Mon Oct 01, 2018 2:24 pm - 1 Replies
- 115 Views
- Last post by ebousquet
Tue Oct 09, 2018 5:48 pm
- structure relaxation problem
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- stress tensor output: 6 tensor components; not 9?
by johnbrehm » Thu Oct 04, 2018 9:19 pm - 1 Replies
- 73 Views
- Last post by gmatteo
Sun Oct 07, 2018 2:05 pm
- stress tensor output: 6 tensor components; not 9?
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- How to nonlinear calculation? [SOLVED]
by nayoung » Mon Jan 19, 2015 12:32 pm - 2 Replies
- 898 Views
- Last post by wangxy
Fri Oct 05, 2018 7:18 am
- How to nonlinear calculation? [SOLVED]
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- Is 'getden' working properly? [SOLVED]
by cgs12 » Tue Sep 25, 2018 1:11 am
- 2 Replies
- 140 Views
- Last post by cgs12
Tue Sep 25, 2018 11:30 pm
- Is 'getden' working properly? [SOLVED]
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- stress tensor: stress.F90
by johnbrehm » Thu Sep 13, 2018 4:57 pm - 0 Replies
- 188 Views
- Last post by johnbrehm
Thu Sep 13, 2018 4:57 pm
- stress tensor: stress.F90
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- Availability of vdW-DF1/2 functionals
by fabiano.corsetti » Mon Sep 19, 2011 2:54 pm - 10 Replies
- 2612 Views
- Last post by cespejo
Thu Sep 13, 2018 2:51 pm
- Availability of vdW-DF1/2 functionals
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- NEB failure
by johnbrehm » Sun Sep 09, 2018 8:24 pm - 2 Replies
- 142 Views
- Last post by torrent
Wed Sep 12, 2018 3:32 pm
- NEB failure
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- Parameters about parallelism
by Abinit » Thu Aug 16, 2018 5:32 pm - 1 Replies
- 278 Views
- Last post by ebousquet
Wed Sep 12, 2018 11:51 am
- Parameters about parallelism
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