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Response calculations
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 36357 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- parallel berryopt -1 crashing with more than one node
by antonio » Wed Dec 05, 2018 6:02 pm
- 4 Replies
- 418 Views
- Last post by antonio
Thu Jan 10, 2019 1:50 am
- parallel berryopt -1 crashing with more than one node
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- ARPES spectra from electron-phonon calculation
by chrisewolf » Sun Jan 06, 2019 5:05 am - 0 Replies
- 66 Views
- Last post by chrisewolf
Sun Jan 06, 2019 5:05 am
- ARPES spectra from electron-phonon calculation
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- Structure optimization [SOLVED]
by kiran » Sat Apr 15, 2017 10:24 am
- 3 Replies
- 503 Views
- Last post by kiran
Thu Dec 20, 2018 10:01 am
- Structure optimization [SOLVED]
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- Kxc not implemented for GGA!
by woffermans » Tue Nov 27, 2018 5:34 pm
- 9 Replies
- 322 Views
- Last post by woffermans
Tue Dec 18, 2018 11:23 am
- Kxc not implemented for GGA!
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- RF calculation (iscf=-3) is very slow...
by Hiroki » Sun Dec 09, 2018 9:55 am
- 1 Replies
- 90 Views
- Last post by ebousquet
Fri Dec 14, 2018 5:25 pm
- RF calculation (iscf=-3) is very slow...
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- DDB file does not contain GS etotal
by gswylq » Sat Dec 01, 2018 11:28 am - 1 Replies
- 109 Views
- Last post by ebousquet
Wed Dec 05, 2018 11:08 am
- DDB file does not contain GS etotal
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- symmetry and phonon response function calculation
by woffermans » Wed Nov 28, 2018 12:51 pm - 0 Replies
- 99 Views
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Wed Nov 28, 2018 12:51 pm
- symmetry and phonon response function calculation
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- Segmentation fault (core dumped) problem in NLO calculation [SOLVED]
by Zhang Xiaole » Wed Nov 02, 2011 8:26 am - 5 Replies
- 2671 Views
- Last post by mverstra
Fri Oct 05, 2018 10:01 am
- Segmentation fault (core dumped) problem in NLO calculation [SOLVED]
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- Nonlinear tensors of LiTaO3 and LiNbO3 [SOLVED]
by MarkusKonrad » Sun Aug 12, 2018 5:54 pm - 4 Replies
- 1149 Views
- Last post by MarkusKonrad
Fri Sep 07, 2018 11:29 am
- Nonlinear tensors of LiTaO3 and LiNbO3 [SOLVED]
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- Schottky barrier height in Metal/semiconductor junction
by manik16 » Thu Sep 06, 2018 12:26 pm - 3 Replies
- 308 Views
- Last post by mverstra
Thu Sep 06, 2018 11:26 pm
- Schottky barrier height in Metal/semiconductor junction
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- Nonlinear response calculations with PBE functional
by ahoffman » Thu Mar 01, 2018 1:31 pm - 2 Replies
- 692 Views
- Last post by mverstra
Thu Sep 06, 2018 1:44 pm
- Nonlinear response calculations with PBE functional
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- Phonon DOS problem [SOLVED]
by CHILL » Wed Oct 11, 2017 11:14 pm
- 17 Replies
- 4603 Views
- Last post by mverstra
Thu Sep 06, 2018 1:40 pm
- Phonon DOS problem [SOLVED]
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- crazy results with vDW df2 [SOLVED]
by recohen » Sun Dec 24, 2017 1:32 am
- 2 Replies
- 734 Views
- Last post by mverstra
Thu Sep 06, 2018 1:36 pm
- crazy results with vDW df2 [SOLVED]
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- Strange divergence in phonon calculation
by phzting » Fri Jan 05, 2018 10:35 am
- 2 Replies
- 639 Views
- Last post by mverstra
Thu Sep 06, 2018 1:33 pm
- Strange divergence in phonon calculation
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- Elastic properties
by new_986 » Sun Jul 29, 2018 8:42 am - 5 Replies
- 1058 Views
- Last post by mverstra
Fri Aug 03, 2018 11:39 am
- Elastic properties
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- the partial Phonon DOS
by Roman » Tue Jul 17, 2018 3:40 pm - 2 Replies
- 613 Views
- Last post by gmatteo
Tue Jul 17, 2018 10:08 pm
- the partial Phonon DOS
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- Temperature dependent electronic structure
by arjunvarmar » Sat Jun 16, 2018 10:02 am
- 7 Replies
- 1740 Views
- Last post by mverstra
Tue Jun 26, 2018 5:15 pm
- Temperature dependent electronic structure
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- ANADDB calculation of electron-phonon
by venky » Fri Jun 22, 2018 6:38 pm
- 3 Replies
- 799 Views
- Last post by mverstra
Tue Jun 26, 2018 10:18 am
- ANADDB calculation of electron-phonon
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- Electron-Phonon gkk ascii file [SOLVED]
by antonio » Tue Apr 24, 2018 5:01 pm - 4 Replies
- 1219 Views
- Last post by antonio
Wed Jun 13, 2018 10:25 am
- Electron-Phonon gkk ascii file [SOLVED]
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- missing files
by ramanujan » Thu Nov 30, 2017 3:49 am - 1 Replies
- 599 Views
- Last post by mverstra
Sun May 20, 2018 10:09 pm
- missing files
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- Piezoelectric Tensor Units? [SOLVED]
by aliwho » Wed May 16, 2018 7:32 pm - 2 Replies
- 1035 Views
- Last post by aliwho
Sun May 20, 2018 9:22 pm
- Piezoelectric Tensor Units? [SOLVED]
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- SCAILD Method [SOLVED]
by njszym » Sat Jan 20, 2018 4:41 pm - 2 Replies
- 967 Views
- Last post by mverstra
Fri May 18, 2018 4:45 pm
- SCAILD Method [SOLVED]
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- Difference between Eliashberg functions
by JBekaert » Thu Mar 29, 2018 11:36 am
- 1 Replies
- 790 Views
- Last post by mverstra
Wed May 02, 2018 5:28 pm
- Difference between Eliashberg functions
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- Wrong sign on piezeo d33 for barium titanate?
by johnbrehm » Fri Apr 13, 2018 9:49 pm - 7 Replies
- 1429 Views
- Last post by ebousquet
Fri Apr 27, 2018 6:42 pm
- Wrong sign on piezeo d33 for barium titanate?
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