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

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Raman spectrum

Last post by mazibi « Sun Jun 26, 2016 10:27 am
Replies: 2
by mazibi » Tue Jun 21, 2016 6:35 pm
This topic was posted 3013 days ago

2 Replies

4226 Views

Last post by mazibi
Sun Jun 26, 2016 10:27 am
Altering perturbation size/step

Last post by rhynasas « Thu Jun 02, 2016 11:46 pm

by rhynasas » Thu Jun 02, 2016 11:46 pm
This topic was posted 3032 days ago

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4448 Views

Last post by rhynasas
Thu Jun 02, 2016 11:46 pm
The calculation was held when I calculate the elphon

Last post by shaoziji « Tue May 31, 2016 3:12 am

by shaoziji » Tue May 31, 2016 3:12 am
This topic was posted 3035 days ago

0 Replies

2741 Views

Last post by shaoziji
Tue May 31, 2016 3:12 am
What‘s the meaning of the data in the output of nesting file

Last post by shaoziji « Mon Apr 25, 2016 1:22 pm

by shaoziji » Mon Apr 25, 2016 1:22 pm
This topic was posted 3070 days ago

0 Replies

2670 Views

Last post by shaoziji
Mon Apr 25, 2016 1:22 pm
[BUG] Effective charge calculation with PAW fails.

Last post by roginovicci « Fri Apr 15, 2016 1:53 pm

by roginovicci » Fri Apr 15, 2016 1:53 pm
This topic was posted 3080 days ago

0 Replies

2983 Views

Last post by roginovicci
Fri Apr 15, 2016 1:53 pm
Problem of calculating the phonon dispersion of AlAs crystal

Last post by tsukagoshi « Tue Apr 05, 2016 3:17 pm
Replies: 2
by tsukagoshi » Tue Mar 29, 2016 12:08 pm
This topic was posted 3097 days ago

2 Replies

4288 Views

Last post by tsukagoshi
Tue Apr 05, 2016 3:17 pm
something wrong with the phonon caused imaginary freq

Last post by shaoziji « Sat Mar 26, 2016 5:00 am
Replies: 11
by shaoziji » Tue Mar 15, 2016 1:52 am
This topic was posted 3112 days ago

11 Replies

11045 Views

Last post by shaoziji
Sat Mar 26, 2016 5:00 am
Parallelism of RF calculations with general qpt wrong

Last post by onion2440 « Thu Feb 18, 2016 2:57 am
Replies: 2
by onion2440 » Wed Feb 17, 2016 6:13 am
This topic was posted 3138 days ago

2 Replies

4327 Views

Last post by onion2440
Thu Feb 18, 2016 2:57 am
Long range force (Ewald sum) for finite q [SOLVED]

Last post by churna « Sun Feb 14, 2016 9:58 pm
Replies: 6
by churna » Mon May 04, 2015 10:49 pm
This topic was posted 3427 days ago

6 Replies

9715 Views

Last post by churna
Sun Feb 14, 2016 9:58 pm
spin polarized phonons at Gamma using paw pseudo-potentials

Last post by bmatt « Wed Jan 20, 2016 7:31 pm

by bmatt » Wed Jan 20, 2016 7:31 pm
This topic was posted 3166 days ago

0 Replies

2766 Views

Last post by bmatt
Wed Jan 20, 2016 7:31 pm
How to edit B2EPS.freq?

Last post by Hamedgh « Tue Jan 19, 2016 5:10 pm

by Hamedgh » Tue Jan 19, 2016 5:10 pm
This topic was posted 3167 days ago

0 Replies

2302 Views

Last post by Hamedgh
Tue Jan 19, 2016 5:10 pm
Fail running a toptic of tutorespfn test in cygwin

Last post by lyzhao « Fri Jan 15, 2016 4:24 am

by lyzhao » Fri Jan 15, 2016 4:24 am
This topic was posted 3171 days ago

0 Replies

2655 Views

Last post by lyzhao
Fri Jan 15, 2016 4:24 am
procedure to obtain infrared spectrum (IR) with abinit/anadd [SOLVED]

Last post by bmatt « Wed Dec 30, 2015 12:57 am
Replies: 1
by bmatt » Sat Dec 26, 2015 6:51 pm
This topic was posted 3191 days ago

1 Replies

5499 Views

Last post by bmatt
Wed Dec 30, 2015 12:57 am
ERROR message in elastic calculation

Last post by DAHAME « Tue Nov 10, 2015 11:39 am
Replies: 3
by DAHAME » Sun Nov 08, 2015 12:37 am
This topic was posted 3240 days ago

3 Replies

4230 Views

Last post by DAHAME
Tue Nov 10, 2015 11:39 am
PAW+phonons

Last post by roginovicci « Fri Nov 06, 2015 11:20 am
Replies: 44
by ksmirnov » Thu Jun 13, 2013 9:16 am
1

2
This topic was posted 4117 days ago
44 Replies

47735 Views

Last post by roginovicci
Fri Nov 06, 2015 11:20 am
Error warning in calcuation of transport of iron

Last post by zpantz « Mon Oct 12, 2015 10:53 am
Replies: 2
by zpantz » Mon Sep 28, 2015 1:54 am
This topic was posted 3281 days ago

2 Replies

3946 Views

Last post by zpantz
Mon Oct 12, 2015 10:53 am
How to extract the electron-phonon matrix elements?

Last post by raul_l « Wed Sep 16, 2015 10:32 pm
Replies: 5
by raul_l » Mon Sep 14, 2015 1:17 pm
This topic was posted 3294 days ago

5 Replies

6023 Views

Last post by raul_l
Wed Sep 16, 2015 10:32 pm
phonon spectro under finite electric field with rf

Last post by onion2440 « Tue Sep 15, 2015 5:30 pm

by onion2440 » Tue Sep 15, 2015 5:30 pm
This topic was posted 3293 days ago

0 Replies

2310 Views

Last post by onion2440
Tue Sep 15, 2015 5:30 pm
wave function overlap between different k points

Last post by jzwanzig « Sun Aug 30, 2015 5:14 pm
Replies: 1
by jlcheng » Tue Jul 07, 2015 12:08 am
This topic was posted 3364 days ago

1 Replies

3121 Views

Last post by jzwanzig
Sun Aug 30, 2015 5:14 pm
Bug message in GKK calculation

Last post by zpantz « Fri Aug 21, 2015 4:09 pm
Replies: 1
by zpantz » Fri Aug 21, 2015 12:30 am
This topic was posted 3319 days ago

1 Replies

2697 Views

Last post by zpantz
Fri Aug 21, 2015 4:09 pm
band2EPS creating an image that does not open

Last post by acl06 « Thu Jul 09, 2015 5:11 pm
Replies: 4
by acl06 » Thu Jul 02, 2015 5:53 pm
This topic was posted 3368 days ago

4 Replies

5017 Views

Last post by acl06
Thu Jul 09, 2015 5:11 pm
DDK and prteig output

Last post by torrent « Fri Jun 26, 2015 12:04 am
Replies: 1
by jzwanzig » Thu May 28, 2015 8:35 pm
This topic was posted 3403 days ago

1 Replies

3063 Views

Last post by torrent
Fri Jun 26, 2015 12:04 am
Components of the stress tensor

Last post by jzwanzig « Thu Jun 04, 2015 8:01 pm
Replies: 1
by sebastianecheverrir » Mon May 18, 2015 2:30 pm
This topic was posted 3413 days ago

1 Replies

2910 Views

Last post by jzwanzig
Thu Jun 04, 2015 8:01 pm
TDDFT absorption spectrum

Last post by lilya « Sat May 30, 2015 8:44 pm

by lilya » Sat May 30, 2015 8:44 pm
This topic was posted 3401 days ago

0 Replies

2188 Views

Last post by lilya
Sat May 30, 2015 8:44 pm
ABINIT at finite temperatures

Last post by jzwanzig « Thu May 28, 2015 8:33 pm
Replies: 1
by Kawashima » Fri May 22, 2015 6:35 am
This topic was posted 3409 days ago

1 Replies

2575 Views

Last post by jzwanzig
Thu May 28, 2015 8:33 pm

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