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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Metals and froz phona at gamma: set occopt, tsmear to what?

Last post by jzwanzig « Mon Jul 02, 2012 4:33 pm
Replies: 3
by brehmj » Sun Jul 01, 2012 8:28 pm
This topic was posted 4464 days ago

3 Replies

3389 Views

Last post by jzwanzig
Mon Jul 02, 2012 4:33 pm
diiferent nkpts being generated in combined scf and phonon s

Last post by brehmj « Mon Jul 02, 2012 4:11 pm
Replies: 2
by brehmj » Fri Jun 29, 2012 4:15 am
This topic was posted 4467 days ago

2 Replies

2631 Views

Last post by brehmj
Mon Jul 02, 2012 4:11 pm
How to do phonon and RF calcs for a metal?

Last post by brehmj « Thu Jun 28, 2012 3:25 pm
Replies: 2
by brehmj » Wed Jun 27, 2012 3:46 pm
This topic was posted 4468 days ago

2 Replies

3549 Views

Last post by brehmj
Thu Jun 28, 2012 3:25 pm
How to read Dynamical matrix elements (GKK File)

Last post by 200210qb « Sat Jun 16, 2012 4:50 am
Replies: 2
by adarband » Thu Jun 23, 2011 8:51 pm
This topic was posted 4838 days ago

2 Replies

2827 Views

Last post by 200210qb
Sat Jun 16, 2012 4:50 am
Thermodynamic properties , anadbb

Last post by ilukacevic « Thu May 31, 2012 8:01 am
Replies: 3
by nbod » Tue May 29, 2012 6:17 pm
This topic was posted 4497 days ago

3 Replies

3375 Views

Last post by ilukacevic
Thu May 31, 2012 8:01 am
Can we use DDB to calculate phonons when using PAW and GGA+U

Last post by mverstra « Thu May 24, 2012 2:53 pm
Replies: 1
by yjzhou » Sun Jan 01, 2012 7:40 pm
This topic was posted 4646 days ago

1 Replies

2058 Views

Last post by mverstra
Thu May 24, 2012 2:53 pm
TDDFT

Last post by mverstra « Thu May 24, 2012 2:51 pm
Replies: 1
by fabienfontaine » Mon Jan 09, 2012 2:10 pm
This topic was posted 4638 days ago

1 Replies

2125 Views

Last post by mverstra
Thu May 24, 2012 2:51 pm
help for elastic constant calculation

Last post by mverstra « Thu May 24, 2012 2:07 pm
Replies: 1
by hisap-nano » Fri Jan 13, 2012 2:23 am
This topic was posted 4635 days ago

1 Replies

2166 Views

Last post by mverstra
Thu May 24, 2012 2:07 pm
phonon spectrum for rhombohedral crystal

Last post by mverstra « Thu May 24, 2012 2:06 pm
Replies: 1
by dps » Tue Jan 17, 2012 7:53 am
This topic was posted 4631 days ago

1 Replies

2488 Views

Last post by mverstra
Thu May 24, 2012 2:06 pm
Number of bands in the non-linear response calc

Last post by mverstra « Thu May 24, 2012 2:04 pm
Replies: 4
by ilukacevic » Mon Sep 12, 2011 9:21 am
This topic was posted 4758 days ago

4 Replies

4044 Views

Last post by mverstra
Thu May 24, 2012 2:04 pm
[SOLVED] Elastic constants of MgSiO3 with Pbcn space group

Last post by mverstra « Wed May 23, 2012 6:34 pm
Replies: 6
by andreichibisov » Tue Feb 22, 2011 12:58 pm
This topic was posted 4959 days ago

6 Replies

5952 Views

Last post by mverstra
Wed May 23, 2012 6:34 pm
BUG

Last post by mverstra « Wed May 23, 2012 6:27 pm
Replies: 1
by george » Thu Apr 26, 2012 10:49 pm
This topic was posted 4530 days ago

1 Replies

1966 Views

Last post by mverstra
Wed May 23, 2012 6:27 pm
A question about the Electronic Dielectric Tensor

Last post by mverstra « Wed May 23, 2012 6:18 pm
Replies: 1
by Zhang Xiaole » Wed May 16, 2012 8:21 am
This topic was posted 4511 days ago

1 Replies

2472 Views

Last post by mverstra
Wed May 23, 2012 6:18 pm
Large memory on IBM machine for response calculation

Last post by mverstra « Wed May 23, 2012 6:15 pm
Replies: 1
by vranjan » Tue May 15, 2012 9:43 pm
This topic was posted 4511 days ago

1 Replies

2193 Views

Last post by mverstra
Wed May 23, 2012 6:15 pm
[SOLVED] nlo calculation stops with segmentation fault

Last post by ilukacevic « Thu May 03, 2012 9:48 am
Replies: 4
by ilukacevic » Thu Mar 22, 2012 12:02 pm
This topic was posted 4565 days ago

4 Replies

4733 Views

Last post by ilukacevic
Thu May 03, 2012 9:48 am
Can optic handle VERY big wfk files?

Last post by Anwar « Wed May 02, 2012 1:37 pm
Replies: 2
by Anwar » Sun Oct 02, 2011 5:19 pm
This topic was posted 4737 days ago

2 Replies

3351 Views

Last post by Anwar
Wed May 02, 2012 1:37 pm
error while running the code

Last post by guptasanjay.85 « Thu Apr 26, 2012 9:26 am
Replies: 5
by guptasanjay.85 » Fri Apr 20, 2012 4:52 pm
This topic was posted 4536 days ago

5 Replies

9818 Views

Last post by guptasanjay.85
Thu Apr 26, 2012 9:26 am
anisotropic dielectric function

Last post by raul_l « Tue Apr 10, 2012 10:43 am
Replies: 3
by raul_l » Fri Mar 09, 2012 9:57 am
This topic was posted 4578 days ago

3 Replies

3096 Views

Last post by raul_l
Tue Apr 10, 2012 10:43 am
[FIXED 6.13] nlo calculations fails when using > 1proc

Last post by hdjani « Thu Apr 05, 2012 9:50 am
Replies: 4
by roginovicci » Mon Feb 13, 2012 11:33 am
This topic was posted 4603 days ago

4 Replies

4131 Views

Last post by hdjani
Thu Apr 05, 2012 9:50 am
[SOLVED] fxphas bug in rf calculation

Last post by ilukacevic « Wed Apr 04, 2012 7:32 am
Replies: 3
by ilukacevic » Fri Feb 24, 2012 2:09 pm
This topic was posted 4592 days ago

3 Replies

3717 Views

Last post by ilukacevic
Wed Apr 04, 2012 7:32 am
Dynamical matrix (cartesian) unit in output file

Last post by mverstra « Mon Apr 02, 2012 10:39 pm
Replies: 2
by sylee » Wed Feb 29, 2012 10:45 pm
This topic was posted 4587 days ago

2 Replies

3031 Views

Last post by mverstra
Mon Apr 02, 2012 10:39 pm
Manipulation of converged el. densities

Last post by mverstra « Mon Apr 02, 2012 10:34 pm
Replies: 1
by mfendrich » Sat Feb 18, 2012 10:55 am
This topic was posted 4598 days ago

1 Replies

2094 Views

Last post by mverstra
Mon Apr 02, 2012 10:34 pm
[FIXED 6.13] tutorial nlo calculations fails.

Last post by mverstra « Mon Apr 02, 2012 10:30 pm
Replies: 1
by roginovicci » Sun Mar 18, 2012 8:08 pm
This topic was posted 4569 days ago

1 Replies

3293 Views

Last post by mverstra
Mon Apr 02, 2012 10:30 pm
optic module - spin polarization?

Last post by mverstra « Mon Apr 02, 2012 10:19 pm
Replies: 1
by thomas.chanier » Mon Feb 13, 2012 2:53 pm
This topic was posted 4603 days ago

1 Replies

2076 Views

Last post by mverstra
Mon Apr 02, 2012 10:19 pm
exit code 14?

Last post by mverstra « Mon Apr 02, 2012 7:03 pm
Replies: 2
by jzwanzig » Wed Sep 28, 2011 12:25 pm
This topic was posted 4741 days ago

2 Replies

3181 Views

Last post by mverstra
Mon Apr 02, 2012 7:03 pm

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