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
This topic was posted 2601 days ago

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

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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 32 days ago

16 Replies

989 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 22 days ago

4 Replies

286 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 24 days ago

6 Replies

123 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 43 days ago

5 Replies

566 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 43 days ago

2 Replies

118 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 51 days ago

2 Replies

120 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 88 days ago

1 Replies

157 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 96 days ago

2 Replies

154 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 208 days ago

19 Replies

1021 Views

Last post by jerkov
Wed Jun 17, 2020 2:56 pm
Units of NLO Calculations

Last post by jerkov « Sat Jun 13, 2020 12:50 am

by jerkov » Sat Jun 13, 2020 12:50 am
This topic was posted 102 days ago

0 Replies

428 Views

Last post by jerkov
Sat Jun 13, 2020 12:50 am
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 214 days ago

4 Replies

258 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 113 days ago

2 Replies

159 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 112 days ago

0 Replies

383 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 115 days ago

1 Replies

143 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 185 days ago

2 Replies

182 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 169 days ago

1 Replies

125 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 282 days ago

5 Replies

639 Views

Last post by andyamygto
Tue Mar 31, 2020 4:35 am
symmetry of phonon modes

Last post by jerkov « Mon Mar 30, 2020 6:58 pm
Replies: 13
by fdatchi » Thu Aug 19, 2010 2:54 pm
This topic was posted 3687 days ago

13 Replies

7275 Views

Last post by jerkov
Mon Mar 30, 2020 6:58 pm
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 267 days ago

3 Replies

716 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 540 days ago

3 Replies

880 Views

Last post by mverstra
Thu Dec 26, 2019 10:53 pm
electron phonon coupling strength

Last post by mverstra « Thu Dec 26, 2019 3:09 pm
Replies: 1
by Aiswarya Samal » Fri Nov 08, 2019 5:42 pm
This topic was posted 319 days ago

1 Replies

351 Views

Last post by mverstra
Thu Dec 26, 2019 3:09 pm
tnons parameter in RF calculation (Optic)

Last post by ebousquet « Thu Nov 21, 2019 4:03 pm
Replies: 1
by Maksim » Tue Nov 05, 2019 5:09 am
This topic was posted 323 days ago

1 Replies

257 Views

Last post by ebousquet
Thu Nov 21, 2019 4:03 pm
Resuming stopped DDB calculation [SOLVED]

Last post by ebousquet « Thu Nov 21, 2019 3:24 pm
Replies: 4
by aliwho » Mon Oct 31, 2016 4:38 am
This topic was posted 1423 days ago

4 Replies

2930 Views

Last post by ebousquet
Thu Nov 21, 2019 3:24 pm
momentum matrix element calculation

Last post by NPike « Fri Oct 18, 2019 8:27 pm
Replies: 3
by fingolfin2 » Mon May 23, 2016 4:10 pm
This topic was posted 1583 days ago

3 Replies

1988 Views

Last post by NPike
Fri Oct 18, 2019 8:27 pm
Calculate el-ph interaction using external IFCs

Last post by hgao « Mon Oct 14, 2019 5:03 pm

by hgao » Mon Oct 14, 2019 5:03 pm
This topic was posted 344 days ago

0 Replies

219 Views

Last post by hgao
Mon Oct 14, 2019 5:03 pm

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