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 4060 days ago

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does optdriver 5 work in parallel?

Last post by fgrosse « Mon Oct 15, 2012 3:20 pm
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by jzwanzig » Sat Jul 14, 2012 10:23 pm
This topic was posted 4451 days ago

3 Replies

3418 Views

Last post by fgrosse
Mon Oct 15, 2012 3:20 pm
MPI_ERROR_STRING: MPI_ERR_UNKNOWN: unknown error

Last post by sabin « Wed Oct 10, 2012 3:14 pm

by sabin » Wed Oct 10, 2012 3:14 pm
This topic was posted 4363 days ago

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Last post by sabin
Wed Oct 10, 2012 3:14 pm
nbdbuf: a problem using this variable w/ an insulator?

Last post by maxim « Thu Sep 20, 2012 1:36 pm
Replies: 7
by brehmj » Tue Jul 10, 2012 10:44 pm
This topic was posted 4455 days ago

7 Replies

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Last post by maxim
Thu Sep 20, 2012 1:36 pm
Phonon with PAW and nkxc

Last post by ogando « Wed Sep 12, 2012 4:04 pm
Replies: 6
by ogando » Tue Jun 26, 2012 3:32 pm
This topic was posted 4469 days ago

6 Replies

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Last post by ogando
Wed Sep 12, 2012 4:04 pm
Why is finite E field for GaAs crashing?

Last post by jzwanzig « Mon Sep 10, 2012 7:14 pm
Replies: 2
by paulfons » Sun Sep 02, 2012 3:05 pm
This topic was posted 4401 days ago

2 Replies

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Last post by jzwanzig
Mon Sep 10, 2012 7:14 pm
Berry phase calculations and changing k-grid

Last post by jzwanzig « Mon Sep 10, 2012 7:07 pm
Replies: 1
by paulfons » Thu Aug 30, 2012 10:35 am
This topic was posted 4404 days ago

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Last post by jzwanzig
Mon Sep 10, 2012 7:07 pm
MPI Berry Phase Tutorial Crash

Last post by jzwanzig « Mon Sep 10, 2012 7:05 pm
Replies: 1
by paulfons » Thu Aug 30, 2012 7:49 am
This topic was posted 4405 days ago

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Last post by jzwanzig
Mon Sep 10, 2012 7:05 pm
Berry phase calculation crashing under MPI

Last post by jzwanzig « Mon Sep 10, 2012 6:51 pm
Replies: 1
by paulfons » Thu Aug 30, 2012 7:35 am
This topic was posted 4405 days ago

1 Replies

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Last post by jzwanzig
Mon Sep 10, 2012 6:51 pm
kss file and dp-code

Last post by BAMGBOSE, M. K. « Mon Sep 10, 2012 1:03 am
Replies: 2
by BAMGBOSE, M. K. » Thu Aug 30, 2012 5:39 pm
This topic was posted 4404 days ago

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Last post by BAMGBOSE, M. K.
Mon Sep 10, 2012 1:03 am
respoonse and Mrgddb problem

Last post by Shiyun « Sat Sep 08, 2012 3:59 pm

by Shiyun » Sat Sep 08, 2012 3:59 pm
This topic was posted 4395 days ago

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Last post by Shiyun
Sat Sep 08, 2012 3:59 pm
Why all bands are projected in cgwf3.F90

Last post by tsukagoshi « Mon Aug 20, 2012 6:47 am

by tsukagoshi » Mon Aug 20, 2012 6:47 am
This topic was posted 4415 days ago

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Last post by tsukagoshi
Mon Aug 20, 2012 6:47 am
How to obtain Raman scattering spectra

Last post by Zhang Xiaole « Wed Aug 15, 2012 8:07 am
Replies: 2
by Zhang Xiaole » Thu Aug 02, 2012 9:13 am
This topic was posted 4433 days ago

2 Replies

4598 Views

Last post by Zhang Xiaole
Wed Aug 15, 2012 8:07 am
Why the calculated nonlinear optical coefficients are zero?

Last post by Zhang Xiaole « Wed Aug 15, 2012 7:58 am
Replies: 2
by Zhang Xiaole » Fri Aug 10, 2012 9:23 am
This topic was posted 4425 days ago

2 Replies

3257 Views

Last post by Zhang Xiaole
Wed Aug 15, 2012 7:58 am
"Subroutine Unknown" and bad results for elastic calculation

Last post by vistawanted « Sun Aug 12, 2012 5:38 am
Replies: 4
by vistawanted » Fri Aug 03, 2012 4:34 am
This topic was posted 4432 days ago

4 Replies

5540 Views

Last post by vistawanted
Sun Aug 12, 2012 5:38 am
electron-phonon coupling error: partially filled perturbatio

Last post by 200210qb « Fri Aug 10, 2012 8:34 pm

by 200210qb » Fri Aug 10, 2012 8:34 pm
This topic was posted 4424 days ago

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Last post by 200210qb
Fri Aug 10, 2012 8:34 pm
Phonon "runaway" with hexagonal P63mmc BaTiS3

Last post by brehmj « Tue Aug 07, 2012 8:40 pm
Replies: 6
by brehmj » Tue Jul 31, 2012 1:03 am
This topic was posted 4435 days ago

6 Replies

5160 Views

Last post by brehmj
Tue Aug 07, 2012 8:40 pm
problem with phonon calculations

Last post by BAMGBOSE, M. K. « Mon Aug 06, 2012 8:22 pm
Replies: 2
by BAMGBOSE, M. K. » Mon Aug 06, 2012 2:20 pm
This topic was posted 4428 days ago

2 Replies

3198 Views

Last post by BAMGBOSE, M. K.
Mon Aug 06, 2012 8:22 pm
question about the lesson response-function 1 (RF1)

Last post by jzwanzig « Mon Aug 06, 2012 2:29 pm
Replies: 1
by Radhika » Mon Aug 06, 2012 7:11 am
This topic was posted 4429 days ago

1 Replies

2578 Views

Last post by jzwanzig
Mon Aug 06, 2012 2:29 pm
confusing behavior of mrgddb with nkpt

Last post by jzwanzig « Fri Aug 03, 2012 3:44 pm

by jzwanzig » Fri Aug 03, 2012 3:44 pm
This topic was posted 4431 days ago

0 Replies

1772 Views

Last post by jzwanzig
Fri Aug 03, 2012 3:44 pm
Parallelism in the linear-response not working

Last post by jzwanzig « Thu Aug 02, 2012 8:22 pm
Replies: 1
by nbod » Thu Jul 26, 2012 1:31 am
This topic was posted 4440 days ago

1 Replies

3115 Views

Last post by jzwanzig
Thu Aug 02, 2012 8:22 pm
symdm9 : ERROR -Informations are missing in the DDB.

Last post by BAMGBOSE, M. K. « Mon Jul 30, 2012 3:52 pm

by BAMGBOSE, M. K. » Mon Jul 30, 2012 3:52 pm
This topic was posted 4435 days ago

0 Replies

1659 Views

Last post by BAMGBOSE, M. K.
Mon Jul 30, 2012 3:52 pm
[Solved] find inequivalent k-points for phonon calculation?

Last post by ljludwig « Mon Jul 16, 2012 4:07 pm
Replies: 2
by ljludwig » Fri Jul 13, 2012 7:37 pm
This topic was posted 4452 days ago

2 Replies

3553 Views

Last post by ljludwig
Mon Jul 16, 2012 4:07 pm
Error during the elastic constants calculation

Last post by ilukacevic « Mon Jul 16, 2012 1:22 pm
Replies: 2
by ilukacevic » Mon Jul 16, 2012 9:57 am
This topic was posted 4449 days ago

2 Replies

3904 Views

Last post by ilukacevic
Mon Jul 16, 2012 1:22 pm
problems with resp fun calcs together with paral_kgb

Last post by jzwanzig « Tue Jul 10, 2012 3:45 pm
Replies: 4
by jzwanzig » Sun Jul 01, 2012 6:55 pm
This topic was posted 4464 days ago

4 Replies

3538 Views

Last post by jzwanzig
Tue Jul 10, 2012 3:45 pm
DFPT with DFT+U

Last post by ilukacevic « Tue Jul 10, 2012 7:19 am
Replies: 3
by yjzhou » Tue Jul 03, 2012 8:04 pm
This topic was posted 4462 days ago

3 Replies

2947 Views

Last post by ilukacevic
Tue Jul 10, 2012 7:19 am

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