Response calculations
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Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINITThis topic was posted 4060 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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The dielectric tensor of silicon by finite difference [SOLVED]
by tsukagoshi » Thu Mar 02, 2017 7:24 amThis topic was posted 2759 days ago - 2 Replies
- 4810 Views
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Last post by torrent
Tue May 30, 2017 6:19 pm
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wrong number of qpoints in GKK file wrt anaddb input
by beda » Sat May 27, 2017 11:59 amThis topic was posted 2673 days ago - 0 Replies
- 2202 Views
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Last post by beda
Sat May 27, 2017 11:59 am
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Got a negative phonon frequency
by shaoziji » Tue Mar 14, 2017 10:10 amThis topic was posted 2747 days ago - 1 Replies
- 2566 Views
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Last post by mverstra
Sat May 20, 2017 12:31 am
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Use of symmetry in strain calculations [SOLVED]
by jzwanzig » Wed Apr 12, 2017 4:39 pmThis topic was posted 2718 days ago - 3 Replies
- 5459 Views
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Last post by jzwanzig
Fri May 19, 2017 12:38 pm
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Regarding "nband" value in lesson response function 1 [SOLVED]
by Seba Darshan » Thu May 18, 2017 7:38 amThis topic was posted 2682 days ago - 2 Replies
- 4026 Views
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Last post by Seba Darshan
Thu May 18, 2017 12:19 pm
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- 1 Replies
- 3328 Views
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Last post by mverstra
Tue May 16, 2017 9:23 pm
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dfpt_nstwf.F90 bug message
by jzwanzig » Thu Mar 30, 2017 8:01 pmThis topic was posted 2731 days ago - 1 Replies
- 2696 Views
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Last post by mverstra
Thu May 11, 2017 2:43 pm
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optical matrix element [SOLVED]
by jakob_dz » Fri May 05, 2017 7:16 pmThis topic was posted 2695 days ago - 1 Replies
- 3020 Views
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Last post by mverstra
Tue May 09, 2017 10:39 pm
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- 2 Replies
- 2878 Views
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Last post by brahimlag
Mon Feb 13, 2017 3:03 pm
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Is there any difference between phonon and el-ph? [SOLVED]
by shaoziji » Sat Dec 24, 2016 8:42 amThis topic was posted 2827 days ago - 1 Replies
- 3521 Views
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Last post by Dominic
Fri Feb 03, 2017 9:10 am
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transforming displacements (phonons) into XCrySDen axsf file [SOLVED]
by bmatt » Sun Aug 07, 2016 9:45 pmThis topic was posted 2966 days ago - 1 Replies
- 4123 Views
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Last post by ebousquet
Tue Jan 24, 2017 9:30 am
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Imaginary frequencies and anaddb [SOLVED]
by disae » Wed Dec 21, 2016 6:46 pmThis topic was posted 2830 days ago - 1 Replies
- 3401 Views
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Last post by gmatteo
Wed Dec 21, 2016 6:56 pm
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- 0 Replies
- 2271 Views
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Last post by aliwho
Mon Dec 05, 2016 6:46 am
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Gruneisen parameters using DFPT
by sabrygad » Mon Nov 28, 2016 5:57 pmThis topic was posted 2853 days ago - 1 Replies
- 2664 Views
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Last post by gonze
Thu Dec 01, 2016 9:41 am
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Rigid-Ion Elastic constants using PAW DFPT
by sabrygad » Fri Nov 18, 2016 6:25 pmThis topic was posted 2863 days ago - 3 Replies
- 4812 Views
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Last post by ebousquet
Wed Nov 30, 2016 9:42 am
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ABINIT 8.0.6+PAW+Strain Perturbations [SOLVED]
by dmteter » Wed May 25, 2016 10:36 pmThis topic was posted 3040 days ago - 6 Replies
- 15237 Views
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Last post by ebousquet
Mon Nov 28, 2016 11:31 am
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Wrong PDOS for NiTi [SOLVED]
by disae » Fri Nov 18, 2016 5:00 pmThis topic was posted 2863 days ago - 1 Replies
- 5195 Views
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Last post by ilukacevic
Tue Nov 22, 2016 8:13 am
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XC: Matching ixc and pspxc [SOLVED]
by ckunka » Thu Oct 20, 2016 6:37 pmThis topic was posted 2892 days ago - 1 Replies
- 4723 Views
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Last post by gmatteo
Wed Nov 02, 2016 8:01 pm
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Decomposition of piezoelectric constants. How?
by Ah Hui » Wed Oct 12, 2016 8:20 amThis topic was posted 2900 days ago - 0 Replies
- 2851 Views
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Last post by Ah Hui
Wed Oct 12, 2016 8:20 am
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Limitations of the Raman Calculation in ABINIT
by ckunka » Thu Sep 29, 2016 11:52 pmThis topic was posted 2913 days ago - 0 Replies
- 2978 Views
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Last post by ckunka
Thu Sep 29, 2016 11:52 pm
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phonon eigenvector [SOLVED]
by marsusi » Fri Sep 09, 2016 7:57 amThis topic was posted 2933 days ago - 2 Replies
- 6303 Views
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Last post by marsusi
Fri Sep 09, 2016 11:11 am
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Reason for nstep 1 for NSCF in el-ph coupling calculations
by guptaajg » Wed Aug 31, 2016 6:04 pmThis topic was posted 2942 days ago - 0 Replies
- 2706 Views
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Last post by guptaajg
Wed Aug 31, 2016 6:04 pm
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Is that OK to set nstep=1 for the nscf step of el-ph ?
by shaoziji » Sun Aug 21, 2016 8:40 amThis topic was posted 2952 days ago - 0 Replies
- 2569 Views
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Last post by shaoziji
Sun Aug 21, 2016 8:40 am
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Got negative freq for dense q points
by shaoziji » Thu Apr 28, 2016 3:05 amThis topic was posted 3067 days ago - 4 Replies
- 6822 Views
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Last post by shaoziji
Sun Aug 21, 2016 8:28 am
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lda+paw phonon mode anot consistent from v-7.10.5 to v-8.0.8 [SOLVED]
by bmatt » Wed Jul 20, 2016 7:36 pmThis topic was posted 2984 days ago - 4 Replies
- 10828 Views
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Last post by gonze
Mon Aug 08, 2016 8:27 am
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