Response calculations

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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 3038 days ago

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PAW+DFPT+GGA has unreasonable energy values

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by gswylq » Wed Jun 09, 2021 7:01 pm
This topic was posted 177 days ago

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by zanto » Mon Jun 14, 2021 8:39 am
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by Yunfan » Sun Jun 13, 2021 10:24 pm
This topic was posted 172 days ago

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ASR violation in AlAs fermi smearing

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by KonradG » Tue Feb 16, 2021 10:34 pm
This topic was posted 289 days ago

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Last post by KonradG
Thu Apr 15, 2021 4:36 pm
my_hsize = 0 Error

Last post by nsingh3 « Mon Apr 12, 2021 9:03 am
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by nsingh3 » Wed Mar 03, 2021 7:27 am
This topic was posted 275 days ago

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Last post by nsingh3
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Elastic constants of Cr

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by lochavee » Fri Feb 26, 2021 1:03 pm
This topic was posted 280 days ago

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Last post by mmazdz
Thu Mar 04, 2021 6:52 pm
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 287 days ago

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Fri Feb 19, 2021 4:59 am
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 323 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 366 days ago

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Last post by Salah
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Finite electric field calculations with PAW

Last post by tangds « Thu Dec 24, 2020 2:11 pm

by tangds » Thu Dec 24, 2020 2:11 pm
This topic was posted 344 days ago

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Last post by tangds
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Strange divergence in phonon calculation

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by phzting » Fri Jan 05, 2018 9:35 am
This topic was posted 1428 days ago

15 Replies

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This topic was posted 906 days ago

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by jerkov » Sat Jun 13, 2020 12:50 am
This topic was posted 538 days ago

2 Replies

2148 Views

Last post by BagLuc
Fri Dec 04, 2020 8:57 am
Which vdw_xc can be used for DFPT? [SOLVED]

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by bp432 » Sun Nov 15, 2020 12:51 am
This topic was posted 383 days ago

2 Replies

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Last post by bp432
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by qwin » Fri Oct 23, 2020 9:29 am
This topic was posted 406 days ago

6 Replies

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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 4124 days ago

17 Replies

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Last post by ebousquet
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This topic was posted 419 days ago

1 Replies

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Last post by gmatteo
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Best parallelism for 1st order response calculations.

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by jackbaker » Fri Sep 25, 2020 4:33 am
This topic was posted 434 days ago

3 Replies

1683 Views

Last post by gmatteo
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by lilymali03 » Fri Aug 21, 2020 5:56 pm
This topic was posted 469 days ago

16 Replies

4331 Views

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 459 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 461 days ago

6 Replies

3066 Views

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
Replies: 5
by tyst3273 » Mon Aug 10, 2020 10:07 pm
This topic was posted 479 days ago

5 Replies

2650 Views

Last post by ebousquet
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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 479 days ago

2 Replies

1695 Views

Last post by tyst3273
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 488 days ago

2 Replies

1524 Views

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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 525 days ago

1 Replies

1313 Views

Last post by ebousquet
Mon Jul 06, 2020 2:54 pm

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