Ground state

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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 4061 days ago

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

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finite electric field calculation

Last post by mverstra « Sun Jan 22, 2012 3:57 pm
Replies: 6
by amorpho » Mon Feb 28, 2011 7:31 pm
This topic was posted 4953 days ago

6 Replies

4471 Views

Last post by mverstra
Sun Jan 22, 2012 3:57 pm
Convergence behaviour of isolated molecule

Last post by kaneod « Mon Jan 16, 2012 5:59 am
Replies: 3
by kaneod » Fri Jan 13, 2012 1:50 am
This topic was posted 4635 days ago

3 Replies

3854 Views

Last post by kaneod
Mon Jan 16, 2012 5:59 am
Breakpoint continued calculation

Last post by nleconte « Mon Jan 02, 2012 3:08 pm
Replies: 1
by Paul » Tue Dec 20, 2011 9:42 am
This topic was posted 4659 days ago

1 Replies

1819 Views

Last post by nleconte
Mon Jan 02, 2012 3:08 pm
Finding ground state with optical phonons

Last post by lufly « Fri Dec 30, 2011 4:41 am

by lufly » Fri Dec 30, 2011 4:41 am
This topic was posted 4649 days ago

0 Replies

1411 Views

Last post by lufly
Fri Dec 30, 2011 4:41 am
Electronic PDOS for different atoms looks the same

Last post by ilukacevic « Thu Dec 22, 2011 8:23 am

by ilukacevic » Thu Dec 22, 2011 8:23 am
This topic was posted 4657 days ago

0 Replies

1786 Views

Last post by ilukacevic
Thu Dec 22, 2011 8:23 am
Self-consistent determination of U in abinit and QE

Last post by ider « Wed Dec 21, 2011 2:41 pm
Replies: 5
by ider » Wed Dec 07, 2011 2:27 pm
This topic was posted 4672 days ago

5 Replies

3989 Views

Last post by ider
Wed Dec 21, 2011 2:41 pm
[answered] Output files very large

Last post by raff « Mon Dec 19, 2011 9:31 pm
Replies: 3
by raff » Mon Dec 19, 2011 4:03 pm
This topic was posted 4660 days ago

3 Replies

2521 Views

Last post by raff
Mon Dec 19, 2011 9:31 pm
nband for Fermi surface calculation

Last post by ilukacevic « Mon Dec 19, 2011 7:30 am
Replies: 4
by ilukacevic » Mon Nov 14, 2011 2:22 pm
This topic was posted 4695 days ago

4 Replies

3413 Views

Last post by ilukacevic
Mon Dec 19, 2011 7:30 am
Unusual LDA eigenvalue when using parallel version of ABINIT

Last post by Agnxy « Fri Dec 16, 2011 7:49 am
Replies: 1
by Agnxy » Mon Mar 07, 2011 7:20 am
This topic was posted 4947 days ago

1 Replies

2066 Views

Last post by Agnxy
Fri Dec 16, 2011 7:49 am
Can vdw_xc be used in Abinit-6.10.2?

Last post by Robin « Fri Dec 16, 2011 4:18 am

by Robin » Fri Dec 16, 2011 4:18 am
This topic was posted 4663 days ago

0 Replies

1928 Views

Last post by Robin
Fri Dec 16, 2011 4:18 am
[solved] The result not converge

Last post by jolafc « Tue Dec 06, 2011 5:20 pm
Replies: 13
by Paul » Mon Nov 14, 2011 2:45 pm
This topic was posted 4695 days ago

13 Replies

8275 Views

Last post by jolafc
Tue Dec 06, 2011 5:20 pm
How to vary temperature in GS calculations

Last post by sponce « Tue Dec 06, 2011 5:03 pm
Replies: 1
by omar11 » Fri Dec 02, 2011 12:20 am
This topic was posted 4677 days ago

1 Replies

1792 Views

Last post by sponce
Tue Dec 06, 2011 5:03 pm
Same inputs, different outputs

Last post by ilukacevic « Mon Dec 05, 2011 8:34 am
Replies: 5
by ilukacevic » Mon Nov 28, 2011 10:56 am
This topic was posted 4681 days ago

5 Replies

3691 Views

Last post by ilukacevic
Mon Dec 05, 2011 8:34 am
Automatic parallelising over datasets (jdtset)

Last post by nleconte « Fri Dec 02, 2011 3:16 pm
Replies: 6
by JackMedley » Tue Nov 29, 2011 12:05 am
This topic was posted 4680 days ago

6 Replies

4075 Views

Last post by nleconte
Fri Dec 02, 2011 3:16 pm
Parallelisation run crashes - npband (solved)

Last post by nleconte « Fri Dec 02, 2011 2:55 pm

by nleconte » Fri Dec 02, 2011 2:55 pm
This topic was posted 4677 days ago

0 Replies

1535 Views

Last post by nleconte
Fri Dec 02, 2011 2:55 pm
rprim for orthorhombic structures

Last post by david.waroquiers « Tue Nov 29, 2011 10:20 am
Replies: 1
by payam » Tue Nov 29, 2011 5:59 am
This topic was posted 4680 days ago

1 Replies

1824 Views

Last post by david.waroquiers
Tue Nov 29, 2011 10:20 am
[answered] How to check the crystal structure in abinit

Last post by jolafc « Thu Nov 24, 2011 6:47 pm
Replies: 1
by samabdel » Tue Nov 22, 2011 12:16 pm
This topic was posted 4687 days ago

1 Replies

2750 Views

Last post by jolafc
Thu Nov 24, 2011 6:47 pm
plasma frequency

Last post by bahaar « Wed Nov 23, 2011 8:52 pm

by bahaar » Wed Nov 23, 2011 8:52 pm
This topic was posted 4685 days ago

0 Replies

1557 Views

Last post by bahaar
Wed Nov 23, 2011 8:52 pm
How is abinit calculating integrated electronic DOS ?

Last post by hicpalm « Tue Nov 22, 2011 1:37 pm
Replies: 2
by hicpalm » Sat Nov 12, 2011 10:32 am
This topic was posted 4697 days ago

2 Replies

2604 Views

Last post by hicpalm
Tue Nov 22, 2011 1:37 pm
Cohesive Energy of Transition Metals

Last post by marcindulak « Sat Nov 19, 2011 3:16 pm
Replies: 1
by zrnault » Thu Nov 17, 2011 4:01 pm
This topic was posted 4692 days ago

1 Replies

3392 Views

Last post by marcindulak
Sat Nov 19, 2011 3:16 pm
xnorm bug

Last post by ilukacevic « Fri Nov 18, 2011 1:25 pm

by ilukacevic » Fri Nov 18, 2011 1:25 pm
This topic was posted 4691 days ago

0 Replies

1472 Views

Last post by ilukacevic
Fri Nov 18, 2011 1:25 pm
Fermi level

Last post by Ashish « Fri Nov 18, 2011 10:24 am

by Ashish » Fri Nov 18, 2011 10:24 am
This topic was posted 4691 days ago

0 Replies

1460 Views

Last post by Ashish
Fri Nov 18, 2011 10:24 am
[SOLVED] Variational principle in abinit

Last post by sponce « Thu Nov 17, 2011 10:28 am
Replies: 4
by sponce » Sat Nov 12, 2011 6:30 pm
This topic was posted 4696 days ago

4 Replies

3386 Views

Last post by sponce
Thu Nov 17, 2011 10:28 am
Found typo at tutorial

Last post by jh502125 « Wed Nov 16, 2011 2:42 am

by jh502125 » Wed Nov 16, 2011 2:42 am
This topic was posted 4693 days ago

0 Replies

1284 Views

Last post by jh502125
Wed Nov 16, 2011 2:42 am
[SOLVED] Adding the l-decomposed DOS

Last post by ilukacevic « Tue Nov 15, 2011 9:50 am
Replies: 1
by ilukacevic » Fri Sep 30, 2011 8:11 am
This topic was posted 4740 days ago

1 Replies

1823 Views

Last post by ilukacevic
Tue Nov 15, 2011 9:50 am

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