Response calculations

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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 4060 days ago

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

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Calculation of elastic lattice Green's function in supercell

Last post by fascinum « Wed May 20, 2015 6:17 pm

by fascinum » Wed May 20, 2015 6:17 pm
This topic was posted 3411 days ago

0 Replies

2220 Views

Last post by fascinum
Wed May 20, 2015 6:17 pm
How to use foo_EIG2RD to calculate thermal corrections

Last post by charlesdarnay « Mon May 18, 2015 5:08 pm
Replies: 16
by amosyang101 » Fri Mar 23, 2012 2:36 am
This topic was posted 4564 days ago

16 Replies

13818 Views

Last post by charlesdarnay
Mon May 18, 2015 5:08 pm
calculation interrupted

Last post by jzwanzig « Mon May 11, 2015 6:56 pm
Replies: 1
by DAHAME » Sat May 09, 2015 1:48 pm
This topic was posted 3422 days ago

1 Replies

2489 Views

Last post by jzwanzig
Mon May 11, 2015 6:56 pm
Question to the TDDFT Tutorial

Last post by loelik « Wed May 06, 2015 6:51 pm

by loelik » Wed May 06, 2015 6:51 pm
This topic was posted 3425 days ago

0 Replies

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Last post by loelik
Wed May 06, 2015 6:51 pm
DDK eigenvalues: bug in EIG output?

Last post by jzwanzig « Tue May 05, 2015 8:08 pm

by jzwanzig » Tue May 05, 2015 8:08 pm
This topic was posted 3426 days ago

0 Replies

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Last post by jzwanzig
Tue May 05, 2015 8:08 pm
ANADDB ERROR

Last post by mverstra « Tue May 05, 2015 10:37 am
Replies: 1
by nayoung » Thu Jan 29, 2015 7:17 am
This topic was posted 3522 days ago

1 Replies

2719 Views

Last post by mverstra
Tue May 05, 2015 10:37 am
calculation of static dielectric constant

Last post by mverstra « Tue May 05, 2015 10:35 am
Replies: 1
by A.Eddiouane » Thu Jan 29, 2015 11:58 am
This topic was posted 3522 days ago

1 Replies

3438 Views

Last post by mverstra
Tue May 05, 2015 10:35 am
OPTICAL PROPERTIES OF HEXAGONAL STRUCTURE

Last post by mverstra « Tue May 05, 2015 10:30 am
Replies: 1
by bahattinerdinc » Fri Mar 13, 2015 10:30 am
This topic was posted 3479 days ago

1 Replies

2743 Views

Last post by mverstra
Tue May 05, 2015 10:30 am
KNO3 optimization for polarization calcul.

Last post by mverstra « Tue May 05, 2015 10:13 am
Replies: 4
by maxim » Fri Apr 27, 2012 12:51 pm
This topic was posted 4529 days ago

4 Replies

5827 Views

Last post by mverstra
Tue May 05, 2015 10:13 am
Full relaxation under non-null electric field

Last post by antonio « Tue Mar 10, 2015 10:13 am

by antonio » Tue Mar 10, 2015 10:13 am
This topic was posted 3482 days ago

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2293 Views

Last post by antonio
Tue Mar 10, 2015 10:13 am
default Fermi level in the el-ph calculation

Last post by bigze « Sat Jan 03, 2015 8:50 am

by bigze » Sat Jan 03, 2015 8:50 am
This topic was posted 3548 days ago

0 Replies

2123 Views

Last post by bigze
Sat Jan 03, 2015 8:50 am
calculation of absorbance of visible radiation

Last post by AlexandraDawson « Thu Jan 01, 2015 8:37 am
Replies: 1
by nanotech » Sun Aug 31, 2014 10:27 pm
This topic was posted 3673 days ago

1 Replies

2480 Views

Last post by AlexandraDawson
Thu Jan 01, 2015 8:37 am
problem with tolwfr

Last post by ahd_dz « Sun Dec 14, 2014 3:39 pm

by ahd_dz » Sun Dec 14, 2014 3:39 pm
This topic was posted 3568 days ago

0 Replies

1927 Views

Last post by ahd_dz
Sun Dec 14, 2014 3:39 pm
el-ph calculation

Last post by ntuxi « Mon Dec 08, 2014 6:05 am

by ntuxi » Mon Dec 08, 2014 6:05 am
This topic was posted 3574 days ago

0 Replies

2017 Views

Last post by ntuxi
Mon Dec 08, 2014 6:05 am
about the ionmov = 30

Last post by sabrielatresh « Tue Nov 25, 2014 3:05 pm
Replies: 2
by wenzhouchen » Thu Sep 08, 2011 3:07 pm
This topic was posted 4761 days ago

2 Replies

3686 Views

Last post by sabrielatresh
Tue Nov 25, 2014 3:05 pm
Phonon in SnO2 at Gamma

Last post by Boris « Wed Nov 19, 2014 8:22 am
Replies: 5
by sferrari » Fri Nov 07, 2014 4:47 pm
This topic was posted 3605 days ago

5 Replies

4996 Views

Last post by Boris
Wed Nov 19, 2014 8:22 am
phonon mode classification according to Irreducible Represe

Last post by Yaroslav « Mon Oct 20, 2014 8:01 pm
Replies: 3
by Yaroslav » Thu Jul 17, 2014 9:52 pm
This topic was posted 3718 days ago

3 Replies

5431 Views

Last post by Yaroslav
Mon Oct 20, 2014 8:01 pm
Electric field with PAW does not converge

Last post by dtom0352 « Mon Oct 20, 2014 6:23 pm
Replies: 2
by dtom0352 » Thu Oct 16, 2014 1:27 pm
This topic was posted 3627 days ago

2 Replies

3368 Views

Last post by dtom0352
Mon Oct 20, 2014 6:23 pm
Wannier interpolation

Last post by mfendrich « Tue Sep 30, 2014 1:49 pm

by mfendrich » Tue Sep 30, 2014 1:49 pm
This topic was posted 3643 days ago

0 Replies

2140 Views

Last post by mfendrich
Tue Sep 30, 2014 1:49 pm
The coverage of residm?

Last post by chenmy « Tue Sep 09, 2014 8:22 pm

by chenmy » Tue Sep 09, 2014 8:22 pm
This topic was posted 3664 days ago

0 Replies

2083 Views

Last post by chenmy
Tue Sep 09, 2014 8:22 pm
Erroneous phonon band structure of SrTiO3 using PAWs

Last post by JBekaert « Wed Aug 20, 2014 4:40 pm
Replies: 2
by JBekaert » Tue Aug 19, 2014 3:10 pm
This topic was posted 3685 days ago

2 Replies

4256 Views

Last post by JBekaert
Wed Aug 20, 2014 4:40 pm
elastic.finite difference.orthorombic structure

Last post by evgenii « Mon Aug 11, 2014 11:01 pm

by evgenii » Mon Aug 11, 2014 11:01 pm
This topic was posted 3693 days ago

0 Replies

2139 Views

Last post by evgenii
Mon Aug 11, 2014 11:01 pm
elastic constants (transition metals) with PAW (LDA+U)

Last post by Boris « Sat Aug 09, 2014 1:39 pm
Replies: 1
by Andrij » Fri Aug 08, 2014 12:42 pm
This topic was posted 3696 days ago

1 Replies

3261 Views

Last post by Boris
Sat Aug 09, 2014 1:39 pm
All displacements in a dataset must run as a single job?

Last post by Boris « Wed Aug 06, 2014 7:14 pm
Replies: 2
by uma » Mon Jul 14, 2014 2:09 pm
This topic was posted 3721 days ago

2 Replies

3303 Views

Last post by Boris
Wed Aug 06, 2014 7:14 pm
How to set "sciss" correction on the nonlinear optical ?

Last post by hdjani « Wed Jul 30, 2014 1:33 pm
Replies: 2
by Ruichun xiao » Thu Apr 10, 2014 3:55 pm
This topic was posted 3816 days ago

2 Replies

3226 Views

Last post by hdjani
Wed Jul 30, 2014 1:33 pm

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