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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
- 30005 Views
- Last post by pouillon
Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- the partial Phonon DOS
by Roman » Tue Jul 17, 2018 3:40 pm - 2 Replies
- 29 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
- 188 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
- 81 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
- 146 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
- 159 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
- 80 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
- 155 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
- 153 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
- 188 Views
- Last post by ebousquet
Fri Apr 27, 2018 6:42 pm
- Wrong sign on piezeo d33 for barium titanate?
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- DFPT + PAW LDA
by tomasz.w » Mon Nov 20, 2017 12:11 am
- 6 Replies
- 346 Views
- Last post by ebousquet
Wed Apr 18, 2018 9:42 pm
- DFPT + PAW LDA
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- Strange divergence in phonon calculation
by phzting » Fri Jan 05, 2018 10:35 am
- 1 Replies
- 198 Views
- Last post by Boris
Tue Apr 17, 2018 9:47 pm
- Strange divergence in phonon calculation
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- Nonlinear response calculations with PBE functional
by ahoffman » Thu Mar 01, 2018 1:31 pm - 1 Replies
- 104 Views
- Last post by ebousquet
Fri Mar 02, 2018 8:44 am
- Nonlinear response calculations with PBE functional
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- Phonon eigendisplacement normalization? [SOLVED]
by aliwho » Wed Feb 21, 2018 10:48 pm - 3 Replies
- 175 Views
- Last post by ebousquet
Wed Feb 28, 2018 11:39 am
- Phonon eigendisplacement normalization? [SOLVED]
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- What are the scopes of combine study in essay exams
by DarwinSchwartz » Tue Jan 16, 2018 12:01 pm - 0 Replies
- 82 Views
- Last post by DarwinSchwartz
Tue Jan 16, 2018 12:01 pm
- What are the scopes of combine study in essay exams
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- GW-calculations of graphene
by Sergej_k » Wed Jan 03, 2018 11:46 am
- 0 Replies
- 96 Views
- Last post by Sergej_k
Wed Jan 03, 2018 11:46 am
- GW-calculations of graphene
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- crazy results with vDW df2
by recohen » Sun Dec 24, 2017 1:32 am
- 1 Replies
- 106 Views
- Last post by recohen
Mon Dec 25, 2017 6:48 pm
- crazy results with vDW df2
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- Phonon DOS problem [SOLVED]
by CHILL » Wed Oct 11, 2017 11:14 pm
- 16 Replies
- 911 Views
- Last post by CHILL
Fri Dec 01, 2017 3:40 pm
- Phonon DOS problem [SOLVED]
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- Manchester United duo Marcus Rashford and Ander Herrera hail
by thanloeuth » Tue Nov 28, 2017 10:41 pm - 0 Replies
- 93 Views
- Last post by thanloeuth
Tue Nov 28, 2017 10:41 pm
- Manchester United duo Marcus Rashford and Ander Herrera hail
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- Electron Linewidth (elphon)
by davgumo » Tue Nov 07, 2017 12:35 am - 3 Replies
- 272 Views
- Last post by mverstra
Tue Nov 07, 2017 9:44 pm
- Electron Linewidth (elphon)
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- Thermal conductivity for cubic materials
by Ashish » Wed Oct 18, 2017 12:55 pm
- 3 Replies
- 255 Views
- Last post by mverstra
Fri Oct 27, 2017 12:33 pm
- Thermal conductivity for cubic materials
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- getcell does not get correct values in RF calculations
by Robin » Wed Oct 20, 2010 6:33 am
- 2 Replies
- 1213 Views
- Last post by mverstra
Tue Oct 17, 2017 12:21 pm
- getcell does not get correct values in RF calculations
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- Comparison of etotal of Osmium in BCC, FCC, and HCP state
by Leo123 » Fri Oct 13, 2017 6:54 am - 1 Replies
- 120 Views
- Last post by mverstra
Fri Oct 13, 2017 9:59 am
- Comparison of etotal of Osmium in BCC, FCC, and HCP state
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- trying to run elfield; failing miserably.
by johnbrehm » Mon Sep 25, 2017 9:37 pm - 1 Replies
- 125 Views
- Last post by mverstra
Thu Oct 12, 2017 7:41 am
- trying to run elfield; failing miserably.
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- Calculation stops without error when switching on D-field
by juhl » Fri Sep 15, 2017 6:42 pm
- 10 Replies
- 276 Views
- Last post by mverstra
Mon Sep 25, 2017 10:30 pm
- Calculation stops without error when switching on D-field
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- get phonon spectrum success, but not elphon coeffiecients [SOLVED]
by onion2440 » Wed Aug 30, 2017 6:10 pm - 2 Replies
- 227 Views
- Last post by onion2440
Sat Sep 02, 2017 4:30 am
- get phonon spectrum success, but not elphon coeffiecients [SOLVED]
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