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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finite E field paw and ionmov

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by hdjani » Tue Jul 15, 2014 12:01 pm
This topic was posted 3720 days ago

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Tue Jul 15, 2014 12:01 pm
phonon free energy

Last post by Meech « Mon Jun 23, 2014 11:38 am
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by Meech » Fri Jun 13, 2014 12:04 pm
This topic was posted 3752 days ago

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Last post by Meech
Mon Jun 23, 2014 11:38 am
Positive frequency at Gamma for cubic BaTiO3

Last post by gswylq « Tue Jun 17, 2014 2:36 am

by gswylq » Tue Jun 17, 2014 2:36 am
This topic was posted 3749 days ago

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Last post by gswylq
Tue Jun 17, 2014 2:36 am
Relation between spontaneous polarization and c/a.

Last post by minimumtone « Thu Jun 12, 2014 2:09 pm

by minimumtone » Thu Jun 12, 2014 2:09 pm
This topic was posted 3753 days ago

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Last post by minimumtone
Thu Jun 12, 2014 2:09 pm
NLO coefficients shown as **** [SOLVED]

Last post by antonio « Wed Apr 30, 2014 5:19 pm
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by antonio » Tue Jan 28, 2014 4:34 pm
This topic was posted 3888 days ago

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Wed Apr 30, 2014 5:19 pm
electronic energy layers

Last post by lvmui « Wed Apr 16, 2014 11:05 am

by lvmui » Wed Apr 16, 2014 11:05 am
This topic was posted 3810 days ago

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Last post by lvmui
Wed Apr 16, 2014 11:05 am
Configuration : ABINIT aborts linear response calculations

Last post by uma « Fri Mar 28, 2014 4:13 pm
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by uma » Mon Mar 24, 2014 11:15 am
This topic was posted 3833 days ago

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Last post by uma
Fri Mar 28, 2014 4:13 pm
ABINIT aborts linear response calculations

Last post by uma « Mon Mar 24, 2014 1:00 pm

by uma » Mon Mar 24, 2014 1:00 pm
This topic was posted 3833 days ago

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Last post by uma
Mon Mar 24, 2014 1:00 pm
ABINIT aborts linear response calculations

Last post by uma « Mon Mar 24, 2014 11:11 am

by uma » Mon Mar 24, 2014 11:11 am
This topic was posted 3833 days ago

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Last post by uma
Mon Mar 24, 2014 11:11 am
PAW for dielectric constant?

Last post by jzwanzig « Thu Mar 20, 2014 12:38 pm
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by bjeon » Wed Nov 09, 2011 8:46 pm
This topic was posted 4699 days ago

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Last post by jzwanzig
Thu Mar 20, 2014 12:38 pm
elastic constants as a function of temperature

Last post by jzwanzig « Mon Mar 17, 2014 2:06 pm
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by Ashish » Mon Mar 03, 2014 11:03 am
This topic was posted 3854 days ago

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Last post by jzwanzig
Mon Mar 17, 2014 2:06 pm
elastic constant for metal [SOLVED]

Last post by bouhadda « Mon Mar 17, 2014 8:56 am
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by bouhadda » Sun Mar 09, 2014 11:46 am
This topic was posted 3848 days ago

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Last post by bouhadda
Mon Mar 17, 2014 8:56 am
runing abinit in free supercomputer

Last post by lilya « Fri Mar 14, 2014 5:13 am

by lilya » Fri Mar 14, 2014 5:13 am
This topic was posted 3843 days ago

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Last post by lilya
Fri Mar 14, 2014 5:13 am
RF-Amorphous material- Error

Last post by uma « Wed Feb 26, 2014 1:30 pm
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by uma » Mon Feb 24, 2014 1:37 pm
This topic was posted 3861 days ago

3 Replies

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Last post by uma
Wed Feb 26, 2014 1:30 pm
is thermochemistry available?

Last post by jbaltrus « Sat Feb 22, 2014 3:52 pm

by jbaltrus » Sat Feb 22, 2014 3:52 pm
This topic was posted 3863 days ago

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Last post by jbaltrus
Sat Feb 22, 2014 3:52 pm
Amorphous material

Last post by uma « Wed Feb 19, 2014 3:50 pm

by uma » Wed Feb 19, 2014 3:50 pm
This topic was posted 3866 days ago

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Last post by uma
Wed Feb 19, 2014 3:50 pm
Phonon calculation with DFT + U

Last post by ksmirnov « Mon Feb 03, 2014 10:03 am
Replies: 2
by 200210qb » Thu Jan 16, 2014 9:16 pm
This topic was posted 3900 days ago

2 Replies

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Last post by ksmirnov
Mon Feb 03, 2014 10:03 am
Error: npw is not equal to npw1

Last post by goodwill « Sat Dec 14, 2013 7:28 am
Replies: 1
by letuan » Mon Jul 01, 2013 4:06 pm
This topic was posted 4099 days ago

1 Replies

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Last post by goodwill
Sat Dec 14, 2013 7:28 am
Incorrect results in calculating H2 molecule

Last post by ljludwig « Thu Dec 05, 2013 12:31 am
Replies: 1
by Norio Saito » Sun Nov 17, 2013 4:05 am
This topic was posted 3961 days ago

1 Replies

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Last post by ljludwig
Thu Dec 05, 2013 12:31 am
Missing PHVEC file for self-consistent phonon calculation

Last post by vahid « Wed Oct 30, 2013 12:58 pm
Replies: 2
by vahid » Sat Oct 26, 2013 5:49 pm
This topic was posted 3982 days ago

2 Replies

2867 Views

Last post by vahid
Wed Oct 30, 2013 12:58 pm
Fixinig atoms during response function calculation

Last post by Boris « Thu Oct 24, 2013 9:29 am
Replies: 2
by ChrisKue » Tue Oct 22, 2013 4:29 pm
This topic was posted 3986 days ago

2 Replies

2927 Views

Last post by Boris
Thu Oct 24, 2013 9:29 am
problem in convergence of phonon dispertion calculation

Last post by lagoun brahim « Sat Oct 19, 2013 2:24 am
Replies: 6
by brahimlag » Wed Aug 14, 2013 2:17 pm
This topic was posted 4055 days ago

6 Replies

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Last post by lagoun brahim
Sat Oct 19, 2013 2:24 am
IR spectrum

Last post by jek « Sat Sep 28, 2013 7:30 pm
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by jek » Sun Sep 01, 2013 7:27 pm
This topic was posted 4037 days ago

2 Replies

3291 Views

Last post by jek
Sat Sep 28, 2013 7:30 pm
Figuring out how many iterations of ETOT for a phonon calc?

Last post by ilukacevic « Fri Sep 27, 2013 8:23 am
Replies: 1
by brehmj » Thu Sep 26, 2013 5:18 pm
This topic was posted 4012 days ago

1 Replies

2257 Views

Last post by ilukacevic
Fri Sep 27, 2013 8:23 am
a problem in calculation elastic constants

Last post by ilukacevic « Mon Sep 23, 2013 8:19 am
Replies: 1
by nannan » Sat Sep 21, 2013 5:47 am
This topic was posted 4017 days ago

1 Replies

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Last post by ilukacevic
Mon Sep 23, 2013 8:19 am

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