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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
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Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- Tutorial on optical properties
by wwlphys » Sat May 25, 2019 3:43 am
- 0 Replies
- 6 Views
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Sat May 25, 2019 3:43 am
- Tutorial on optical properties
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- electrical conductivity in different crystalline planes
by mdsimulationgroup » Thu May 23, 2019 2:44 pm - 0 Replies
- 6 Views
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Thu May 23, 2019 2:44 pm
- electrical conductivity in different crystalline planes
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- GaN phonon (Phonons in Wurtzite structure )
by t.marinheiro » Tue May 21, 2019 1:11 pm
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- 8 Views
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Tue May 21, 2019 1:11 pm
- GaN phonon (Phonons in Wurtzite structure )
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- Elastic properties
by new_986 » Sun Jul 29, 2018 8:42 am - 7 Replies
- 1711 Views
- Last post by ebousquet
Fri May 10, 2019 10:26 pm
- Elastic properties
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- Lattice Wannier functions from the previous versions
by cwmyung » Fri Apr 19, 2019 4:31 pm - 1 Replies
- 84 Views
- Last post by ebousquet
Fri Apr 26, 2019 7:55 am
- Lattice Wannier functions from the previous versions
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- Wrong Berry phase with LOBPCG
by antonio » Mon Mar 25, 2019 6:53 pm
- 2 Replies
- 124 Views
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Wed Apr 10, 2019 10:47 am
- Wrong Berry phase with LOBPCG
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- eph calcualtion of hexagonal graphene
by Aiswarya Samal » Mon Apr 01, 2019 2:55 pm
- 2 Replies
- 114 Views
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Wed Apr 03, 2019 1:13 pm
- eph calcualtion of hexagonal graphene
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- IFC and unit of freq in PHDOS
by ganck » Wed Feb 13, 2019 12:41 pm - 3 Replies
- 173 Views
- Last post by mverstra
Mon Apr 01, 2019 1:54 pm
- IFC and unit of freq in PHDOS
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- ANADDB calculation of silicon
by Aiswarya Samal » Tue Mar 26, 2019 12:08 pm
- 3 Replies
- 110 Views
- Last post by mverstra
Wed Mar 27, 2019 4:09 pm
- ANADDB calculation of silicon
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- parallel berryopt -1 crashing with more than one node
by antonio » Wed Dec 05, 2018 6:02 pm
- 17 Replies
- 1185 Views
- Last post by ebousquet
Fri Mar 22, 2019 5:58 pm
- parallel berryopt -1 crashing with more than one node
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- Sudden break of running task with error not source code file [SOLVED]
by letuan » Fri Mar 15, 2019 6:40 am - 1 Replies
- 75 Views
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Fri Mar 15, 2019 8:22 am
- Sudden break of running task with error not source code file [SOLVED]
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- Kxc not implemented for GGA!
by woffermans » Tue Nov 27, 2018 5:34 pm
- 10 Replies
- 749 Views
- Last post by woffermans
Thu Jan 31, 2019 11:07 am
- Kxc not implemented for GGA!
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- ARPES spectra from electron-phonon calculation
by chrisewolf » Sun Jan 06, 2019 5:05 am - 0 Replies
- 156 Views
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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
- 712 Views
- Last post by kiran
Thu Dec 20, 2018 10:01 am
- Structure optimization [SOLVED]
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- RF calculation (iscf=-3) is very slow...
by Hiroki » Sun Dec 09, 2018 9:55 am
- 1 Replies
- 252 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
- 233 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
- 195 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
- 3190 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
- 1560 Views
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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
- 452 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
- 952 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
- 6893 Views
- Last post by mverstra
Thu Sep 06, 2018 1:40 pm
- Phonon DOS problem [SOLVED]
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