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 3702 days ago

0 Replies

66687 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 840 days ago

3 Replies

29804 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 836 days ago

0 Replies

4997 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 836 days ago

0 Replies

4929 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 953 days ago

1 Replies

3428 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 939 days ago

1 Replies

3293 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 944 days ago

1 Replies

3074 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 951 days ago

0 Replies

5787 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 987 days ago

0 Replies

4141 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 1030 days ago

8 Replies

6343 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 1008 days ago

0 Replies

3419 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 2092 days ago

15 Replies

10266 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 1570 days ago

2 Replies

3873 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 1202 days ago

2 Replies

4215 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 1047 days ago

2 Replies

4824 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 1070 days ago

6 Replies

5108 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 4788 days ago

17 Replies

40731 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 1083 days ago

1 Replies

2953 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 1098 days ago

3 Replies

4130 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 1133 days ago

16 Replies

10499 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 1123 days ago

4 Replies

6870 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 1125 days ago

6 Replies

7575 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 1143 days ago

5 Replies

6150 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 1143 days ago

2 Replies

4540 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 1152 days ago

2 Replies

3726 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 1189 days ago

1 Replies

3929 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