Response calculations

Moderators: mverstra, aromero

New Topic

468 topics

Page 1 of 19
- Jump to page:
1
2
3
4
5
…
19
Next

Announcements

Replies

Views

Last post

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
This topic was posted 2665 days ago

0 Replies

46274 Views

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

Topics

Replies

Views

Last post

Units of NLO Calculations

Last post by jerkov « Mon Nov 23, 2020 3:59 pm
Replies: 1
by jerkov » Sat Jun 13, 2020 12:50 am
This topic was posted 166 days ago

1 Replies

855 Views

Last post by jerkov
Mon Nov 23, 2020 3:59 pm
Strange divergence in phonon calculation

Last post by andyamygto « Fri Nov 20, 2020 9:31 pm
Replies: 12
by phzting » Fri Jan 05, 2018 9:35 am
This topic was posted 1055 days ago

12 Replies

1688 Views

Last post by andyamygto
Fri Nov 20, 2020 9:31 pm
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 11 days ago

2 Replies

94 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 33 days ago

6 Replies

301 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 3751 days ago

17 Replies

8398 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 46 days ago

1 Replies

127 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 62 days ago

3 Replies

410 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 96 days ago

16 Replies

1381 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 87 days ago

4 Replies

523 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 88 days ago

6 Replies

387 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 107 days ago

5 Replies

755 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 107 days ago

2 Replies

244 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 115 days ago

2 Replies

268 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 152 days ago

1 Replies

277 Views

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
Replies: 2
by jerkov » Thu Jun 18, 2020 4:29 pm
This topic was posted 160 days ago

2 Replies

290 Views

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 272 days ago

19 Replies

1560 Views

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

Last post by suman « Fri Jun 05, 2020 9:04 pm
Replies: 4
by suman » Fri Feb 21, 2020 7:08 pm
This topic was posted 278 days ago

4 Replies

424 Views

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
Replies: 2
by kryczko » Mon Jun 01, 2020 5:38 pm
This topic was posted 177 days ago

2 Replies

286 Views

Last post by kryczko
Thu Jun 04, 2020 4:59 pm
Tips for a Large Optic Calculation

Last post by mjwaters « Tue Jun 02, 2020 11:01 pm

by mjwaters » Tue Jun 02, 2020 11:01 pm
This topic was posted 176 days ago

0 Replies

788 Views

Last post by mjwaters
Tue Jun 02, 2020 11:01 pm
ANADBB calculations in AlAs

Last post by suman « Mon Jun 01, 2020 9:48 pm
Replies: 1
by suman » Sun May 31, 2020 5:04 am
This topic was posted 179 days ago

1 Replies

213 Views

Last post by suman
Mon Jun 01, 2020 9:48 pm
D-field freezes in parallel (and tips on converging?) [SOLVED]

Last post by dbennett1994 « Wed Apr 22, 2020 12:07 pm
Replies: 2
by dbennett1994 » Sat Mar 21, 2020 10:55 am
This topic was posted 249 days ago

2 Replies

322 Views

Last post by dbennett1994
Wed Apr 22, 2020 12:07 pm
Errors of NLO calculation with "anaddb < tnlo_5.files"

Last post by ebousquet « Mon Apr 20, 2020 8:09 am
Replies: 1
by cocoinsky » Mon Apr 06, 2020 10:09 am
This topic was posted 233 days ago

1 Replies

195 Views

Last post by ebousquet
Mon Apr 20, 2020 8:09 am
The Raman(NLO) calculation for the ferromagnetic system

Last post by andyamygto « Tue Mar 31, 2020 4:35 am
Replies: 5
by andyamygto » Sun Dec 15, 2019 4:42 pm
This topic was posted 346 days ago

5 Replies

851 Views

Last post by andyamygto
Tue Mar 31, 2020 4:35 am
Zero Unit Cell Volume in Dispersion Calculation

Last post by ebousquet « Sun Mar 08, 2020 10:18 pm
Replies: 3
by jerkov » Mon Dec 30, 2019 4:30 pm
This topic was posted 331 days ago

3 Replies

863 Views

Last post by ebousquet
Sun Mar 08, 2020 10:18 pm
eph calcualtion of hexagonal graphene

Last post by mverstra « Thu Dec 26, 2019 10:53 pm
Replies: 3
by Aiswarya Samal » Mon Apr 01, 2019 2:55 pm
This topic was posted 604 days ago

3 Replies

1012 Views

Last post by mverstra
Thu Dec 26, 2019 10:53 pm

New Topic

468 topics

Page 1 of 19
- Jump to page:
1
2
3
4
5
…
19
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