Response calculations

Moderators: mverstra, joaocarloscabreu

Locked

477 topics

Page 1 of 20
- Jump to page:
1
2
3
4
5
…
20
Next

Announcements

Replies

Views

Last post

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 2911 days ago

0 Replies

48731 Views

Last post by pouillon
Fri Aug 09, 2013 12:56 pm

Topics

Replies

Views

Last post

PAW+DFPT+GGA has unreasonable energy values

Last post by mmazdz « Mon Jun 21, 2021 12:32 pm
Replies: 3
by gswylq » Wed Jun 09, 2021 7:01 pm
This topic was posted 50 days ago

3 Replies

248 Views

Last post by mmazdz
Mon Jun 21, 2021 12:32 pm
PAW carbon surface energy calculation diverges

Last post by zanto « Mon Jun 14, 2021 8:39 am

by zanto » Mon Jun 14, 2021 8:39 am
This topic was posted 46 days ago

0 Replies

76 Views

Last post by zanto
Mon Jun 14, 2021 8:39 am
Nonlinear optic calculation

Last post by Yunfan « Sun Jun 13, 2021 10:24 pm

by Yunfan » Sun Jun 13, 2021 10:24 pm
This topic was posted 46 days ago

0 Replies

48 Views

Last post by Yunfan
Sun Jun 13, 2021 10:24 pm
ASR violation in AlAs fermi smearing

Last post by KonradG « Thu Apr 15, 2021 4:36 pm
Replies: 1
by KonradG » Tue Feb 16, 2021 10:34 pm
This topic was posted 163 days ago

1 Replies

908 Views

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
Replies: 1
by nsingh3 » Wed Mar 03, 2021 7:27 am
This topic was posted 149 days ago

1 Replies

794 Views

Last post by nsingh3
Mon Apr 12, 2021 9:03 am
Elastic constants of Cr

Last post by mmazdz « Thu Mar 04, 2021 6:52 pm
Replies: 1
by lochavee » Fri Feb 26, 2021 1:03 pm
This topic was posted 153 days ago

1 Replies

521 Views

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 161 days ago

0 Replies

909 Views

Last post by jackbaker
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 197 days ago

0 Replies

1764 Views

Last post by Gang Tang
Wed Jan 13, 2021 8:21 pm
Computing the relaxed ion elastic tensor

Last post by Salah « Thu Dec 31, 2020 10:47 pm
Replies: 8
by Salah » Tue Dec 01, 2020 8:19 pm
This topic was posted 240 days ago

8 Replies

1620 Views

Last post by Salah
Thu Dec 31, 2020 10:47 pm
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 217 days ago

0 Replies

1126 Views

Last post by tangds
Thu Dec 24, 2020 2:11 pm
Strange divergence in phonon calculation

Last post by aleeds « Wed Dec 16, 2020 11:15 am
Replies: 15
by phzting » Fri Jan 05, 2018 9:35 am
This topic was posted 1302 days ago

15 Replies

3266 Views

Last post by aleeds
Wed Dec 16, 2020 11:15 am
Electrical conductivity tutorial?

Last post by gmatteo « Fri Dec 04, 2020 4:43 pm
Replies: 2
by mdsimulationgroup » Tue Jun 11, 2019 1:15 pm
This topic was posted 779 days ago

2 Replies

994 Views

Last post by gmatteo
Fri Dec 04, 2020 4:43 pm
Units of NLO Calculations

Last post by BagLuc « Fri Dec 04, 2020 8:57 am
Replies: 2
by jerkov » Sat Jun 13, 2020 12:50 am
This topic was posted 412 days ago

2 Replies

1372 Views

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

Last post by bp432 « Tue Nov 17, 2020 8:09 pm
Replies: 2
by bp432 » Sun Nov 15, 2020 12:51 am
This topic was posted 257 days ago

2 Replies

544 Views

Last post by bp432
Tue Nov 17, 2020 8:09 pm
Calculating eigenvectors for the dielectric tensor of Hafnia

Last post by ebousquet « Thu Nov 12, 2020 12:24 pm
Replies: 6
by qwin » Fri Oct 23, 2020 9:29 am
This topic was posted 280 days ago

6 Replies

990 Views

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
Replies: 17
by fdatchi » Thu Aug 19, 2010 2:54 pm
This topic was posted 3997 days ago

17 Replies

32011 Views

Last post by ebousquet
Mon Nov 02, 2020 9:18 am
el-ph calculations based on a-TDEP

Last post by gmatteo « Wed Oct 14, 2020 1:28 am
Replies: 1
by hgao » Sat Oct 10, 2020 2:44 pm
This topic was posted 292 days ago

1 Replies

449 Views

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
Replies: 3
by jackbaker » Fri Sep 25, 2020 4:33 am
This topic was posted 308 days ago

3 Replies

920 Views

Last post by gmatteo
Thu Oct 01, 2020 4:35 am
Negative frequency with denser q-points

Last post by andyamygto « Sun Sep 13, 2020 6:03 pm
Replies: 16
by lilymali03 » Fri Aug 21, 2020 5:56 pm
This topic was posted 342 days ago

16 Replies

2698 Views

Last post by andyamygto
Sun Sep 13, 2020 6:03 pm
Relax structure at finite electric field [SOLVED]

Last post by tangds « Fri Sep 04, 2020 2:20 pm
Replies: 4
by tangds » Mon Aug 31, 2020 8:17 am
This topic was posted 333 days ago

4 Replies

1241 Views

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

Last post by tangds « Tue Sep 01, 2020 9:47 am
Replies: 6
by tangds » Sat Aug 29, 2020 1:53 pm
This topic was posted 334 days ago

6 Replies

1310 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 353 days ago

5 Replies

1400 Views

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
Replies: 2
by tyst3273 » Mon Aug 10, 2020 9:00 pm
This topic was posted 353 days ago

2 Replies

681 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
Replies: 2
by lilymali03 » Sun Aug 02, 2020 3:29 pm
This topic was posted 361 days ago

2 Replies

668 Views

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
Replies: 1
by johnk » Fri Jun 26, 2020 1:06 pm
This topic was posted 398 days ago

1 Replies

648 Views

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

Locked

477 topics

Page 1 of 20
- Jump to page:
1
2
3
4
5
…
20
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum