Response calculations

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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Platform specific questions

by pouillon » Fri Aug 09, 2013 12:56 pm » in Platform specific questions
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Calculation of dynamical matrix from single q-point after mrgddb

Last post by jackbaker « Fri Feb 19, 2021 4:59 am

by jackbaker » Fri Feb 19, 2021 4:59 am
This topic was posted 7 days ago

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Phonon calculation about q wavevectors setting

Last post by Gang Tang « Wed Jan 13, 2021 8:21 pm

by Gang Tang » Wed Jan 13, 2021 8:21 pm
This topic was posted 44 days ago

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Last post by Gang Tang
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Computing the relaxed ion elastic tensor

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by Salah » Tue Dec 01, 2020 8:19 pm
This topic was posted 87 days ago

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Finite electric field calculations with PAW

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by tangds » Thu Dec 24, 2020 2:11 pm
This topic was posted 64 days ago

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Strange divergence in phonon calculation

Last post by aleeds « Wed Dec 16, 2020 11:15 am
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by phzting » Fri Jan 05, 2018 9:35 am
This topic was posted 1148 days ago

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Electrical conductivity tutorial?

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by mdsimulationgroup » Tue Jun 11, 2019 1:15 pm
This topic was posted 626 days ago

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Fri Dec 04, 2020 4:43 pm
Units of NLO Calculations

Last post by BagLuc « Fri Dec 04, 2020 8:57 am
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by jerkov » Sat Jun 13, 2020 12:50 am
This topic was posted 258 days ago

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Last post by BagLuc
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Which vdw_xc can be used for DFPT? [SOLVED]

Last post by bp432 « Tue Nov 17, 2020 8:09 pm
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by bp432 » Sun Nov 15, 2020 12:51 am
This topic was posted 103 days ago

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Last post by ebousquet « Thu Nov 12, 2020 12:24 pm
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by qwin » Fri Oct 23, 2020 9:29 am
This topic was posted 126 days ago

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Last post by ebousquet
Thu Nov 12, 2020 12:24 pm
symmetry of phonon modes

Last post by ebousquet « Mon Nov 02, 2020 9:18 am
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by fdatchi » Thu Aug 19, 2010 2:54 pm
This topic was posted 3844 days ago

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Last post by ebousquet
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el-ph calculations based on a-TDEP

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by hgao » Sat Oct 10, 2020 2:44 pm
This topic was posted 139 days ago

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Last post by gmatteo
Wed Oct 14, 2020 1:28 am
Best parallelism for 1st order response calculations.

Last post by gmatteo « Thu Oct 01, 2020 4:35 am
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by jackbaker » Fri Sep 25, 2020 4:33 am
This topic was posted 154 days ago

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Last post by gmatteo
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by lilymali03 » Fri Aug 21, 2020 5:56 pm
This topic was posted 189 days ago

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Last post by andyamygto
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Relax structure at finite electric field [SOLVED]

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by tangds » Mon Aug 31, 2020 8:17 am
This topic was posted 179 days ago

4 Replies

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Last post by tangds
Fri Sep 04, 2020 2:20 pm
Berry phase_new warning [SOLVED]

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by tangds » Sat Aug 29, 2020 1:53 pm
This topic was posted 181 days ago

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Last post by tangds
Tue Sep 01, 2020 9:47 am
In repfn calculation, istwfk is supposed to be 1 [SOLVED]

Last post by ebousquet « Wed Aug 26, 2020 10:34 am
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by tyst3273 » Mon Aug 10, 2020 10:07 pm
This topic was posted 200 days ago

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Last post by ebousquet
Wed Aug 26, 2020 10:34 am
repfn calculation crashes because ngfftdg doesnt match [SOLVED]

Last post by tyst3273 « Wed Aug 12, 2020 3:37 pm
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by tyst3273 » Mon Aug 10, 2020 9:00 pm
This topic was posted 200 days ago

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Wed Aug 12, 2020 3:37 pm
Lambda and Tc values are too small

Last post by mverstra « Wed Aug 12, 2020 3:08 pm
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by lilymali03 » Sun Aug 02, 2020 3:29 pm
This topic was posted 208 days ago

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Last post by mverstra
Wed Aug 12, 2020 3:08 pm
Full DFPT of Raman Scattering

Last post by ebousquet « Mon Jul 06, 2020 2:54 pm
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by johnk » Fri Jun 26, 2020 1:06 pm
This topic was posted 245 days ago

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Last post by ebousquet
Mon Jul 06, 2020 2:54 pm
Electron-phonon coupling (EPC)

Last post by jerkov « Fri Jun 26, 2020 12:01 am
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by jerkov » Thu Jun 18, 2020 4:29 pm
This topic was posted 253 days ago

2 Replies

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Last post by jerkov
Fri Jun 26, 2020 12:01 am
Phonon DOS [SOLVED]

Last post by jerkov « Wed Jun 17, 2020 2:56 pm
Replies: 19
by jerkov » Thu Feb 27, 2020 3:49 pm
This topic was posted 365 days ago

19 Replies

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Last post by jerkov
Wed Jun 17, 2020 2:56 pm
polarization

Last post by suman « Fri Jun 05, 2020 9:04 pm
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by suman » Fri Feb 21, 2020 7:08 pm
This topic was posted 371 days ago

4 Replies

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Last post by suman
Fri Jun 05, 2020 9:04 pm
Recalculating electronic polarization from ground state orbitals and orbitals differentiated with respect to k

Last post by kryczko « Thu Jun 04, 2020 4:59 pm
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by kryczko » Mon Jun 01, 2020 5:38 pm
This topic was posted 270 days ago

2 Replies

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Thu Jun 04, 2020 4:59 pm
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by mjwaters » Tue Jun 02, 2020 11:01 pm
This topic was posted 269 days ago

0 Replies

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Tue Jun 02, 2020 11:01 pm
ANADBB calculations in AlAs

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by suman » Sun May 31, 2020 5:04 am
This topic was posted 271 days ago

1 Replies

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Last post by suman
Mon Jun 01, 2020 9:48 pm

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