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 3912 days ago - 0 Replies
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Last post by pouillon
Fri Aug 09, 2013 12:56 pm
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PAW+DFPT+GGA has unreasonable energy values
by gswylq » Wed Jun 09, 2021 7:01 pmThis topic was posted 1050 days ago - 3 Replies
- 55045 Views
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Last post by mmazdz
Mon Jun 21, 2021 12:32 pm
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PAW carbon surface energy calculation diverges
by zanto » Mon Jun 14, 2021 8:39 amThis topic was posted 1046 days ago - 0 Replies
- 17054 Views
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Last post by zanto
Mon Jun 14, 2021 8:39 am
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Nonlinear optic calculation
by Yunfan » Sun Jun 13, 2021 10:24 pmThis topic was posted 1046 days ago - 0 Replies
- 16827 Views
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Last post by Yunfan
Sun Jun 13, 2021 10:24 pm
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ASR violation in AlAs fermi smearing
by KonradG » Tue Feb 16, 2021 10:34 pmThis topic was posted 1163 days ago - 1 Replies
- 7110 Views
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Last post by KonradG
Thu Apr 15, 2021 4:36 pm
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- 1 Replies
- 7018 Views
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Last post by nsingh3
Mon Apr 12, 2021 9:03 am
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- 1 Replies
- 6758 Views
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Last post by mmazdz
Thu Mar 04, 2021 6:52 pm
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Calculation of dynamical matrix from single q-point after mrgddb
by jackbaker » Fri Feb 19, 2021 4:59 amThis topic was posted 1161 days ago - 0 Replies
- 17825 Views
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Last post by jackbaker
Fri Feb 19, 2021 4:59 am
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Phonon calculation about q wavevectors setting
by Gang Tang » Wed Jan 13, 2021 8:21 pmThis topic was posted 1197 days ago - 0 Replies
- 8030 Views
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Last post by Gang Tang
Wed Jan 13, 2021 8:21 pm
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Computing the relaxed ion elastic tensor
by Salah » Tue Dec 01, 2020 8:19 pmThis topic was posted 1240 days ago - 8 Replies
- 11437 Views
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Last post by Salah
Thu Dec 31, 2020 10:47 pm
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Finite electric field calculations with PAW
by tangds » Thu Dec 24, 2020 2:11 pmThis topic was posted 1218 days ago - 0 Replies
- 7214 Views
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Last post by tangds
Thu Dec 24, 2020 2:11 pm
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Strange divergence in phonon calculation
by phzting » Fri Jan 05, 2018 9:35 amThis topic was posted 2302 days ago - 15 Replies
- 17211 Views
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Last post by aleeds
Wed Dec 16, 2020 11:15 am
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Electrical conductivity tutorial?
by mdsimulationgroup » Tue Jun 11, 2019 1:15 pmThis topic was posted 1780 days ago - 2 Replies
- 7823 Views
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Last post by gmatteo
Fri Dec 04, 2020 4:43 pm
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- 2 Replies
- 8044 Views
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Last post by BagLuc
Fri Dec 04, 2020 8:57 am
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Which vdw_xc can be used for DFPT? [SOLVED]
by bp432 » Sun Nov 15, 2020 12:51 amThis topic was posted 1257 days ago - 2 Replies
- 12101 Views
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Last post by bp432
Tue Nov 17, 2020 8:09 pm
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Calculating eigenvectors for the dielectric tensor of Hafnia
by qwin » Fri Oct 23, 2020 9:29 amThis topic was posted 1280 days ago - 6 Replies
- 9991 Views
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Last post by ebousquet
Thu Nov 12, 2020 12:24 pm
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- 17 Replies
- 48651 Views
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Last post by ebousquet
Mon Nov 02, 2020 9:18 am
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el-ph calculations based on a-TDEP
by hgao » Sat Oct 10, 2020 2:44 pmThis topic was posted 1293 days ago - 1 Replies
- 6712 Views
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Last post by gmatteo
Wed Oct 14, 2020 1:28 am
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Best parallelism for 1st order response calculations.
by jackbaker » Fri Sep 25, 2020 4:33 amThis topic was posted 1308 days ago - 3 Replies
- 8264 Views
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Last post by gmatteo
Thu Oct 01, 2020 4:35 am
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Negative frequency with denser q-points
by lilymali03 » Fri Aug 21, 2020 5:56 pmThis topic was posted 1343 days ago - 16 Replies
- 17105 Views
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Last post by andyamygto
Sun Sep 13, 2020 6:03 pm
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Relax structure at finite electric field [SOLVED]
by tangds » Mon Aug 31, 2020 8:17 amThis topic was posted 1333 days ago - 4 Replies
- 14633 Views
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Last post by tangds
Fri Sep 04, 2020 2:20 pm
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Berry phase_new warning [SOLVED]
by tangds » Sat Aug 29, 2020 1:53 pmThis topic was posted 1335 days ago - 6 Replies
- 16043 Views
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Last post by tangds
Tue Sep 01, 2020 9:47 am
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In repfn calculation, istwfk is supposed to be 1 [SOLVED]
by tyst3273 » Mon Aug 10, 2020 10:07 pmThis topic was posted 1353 days ago - 5 Replies
- 13568 Views
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Last post by ebousquet
Wed Aug 26, 2020 10:34 am
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repfn calculation crashes because ngfftdg doesnt match [SOLVED]
by tyst3273 » Mon Aug 10, 2020 9:00 pmThis topic was posted 1353 days ago - 2 Replies
- 11413 Views
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Last post by tyst3273
Wed Aug 12, 2020 3:37 pm
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Lambda and Tc values are too small
by lilymali03 » Sun Aug 02, 2020 3:29 pmThis topic was posted 1362 days ago - 2 Replies
- 7701 Views
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Last post by mverstra
Wed Aug 12, 2020 3:08 pm
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Full DFPT of Raman Scattering
by johnk » Fri Jun 26, 2020 1:06 pmThis topic was posted 1399 days ago - 1 Replies
- 7728 Views
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Last post by ebousquet
Mon Jul 06, 2020 2:54 pm
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