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What is the maximum record length on direct access files?

Last post by sauer « 12 Dec 2020, 00:36
Posted in Running Dalton

by sauer » 12 Dec 2020, 00:36 » in Running Dalton

0 Replies

3052 Views

Last post by sauer
12 Dec 2020, 00:36
Readin MOs

Last post by cymantren « 03 Dec 2020, 09:57
Posted in Running Dalton

by cymantren » 03 Dec 2020, 09:57 » in Running Dalton

0 Replies

3135 Views

Last post by cymantren
03 Dec 2020, 09:57
Unexpected property symmetry error while computing NICS values

Last post by salamander « 27 Nov 2020, 17:33
Posted in Running Dalton

by salamander » 27 Nov 2020, 17:33 » in Running Dalton

0 Replies

3106 Views

Last post by salamander
27 Nov 2020, 17:33
m06-l functional

Last post by anna_ « 04 Nov 2020, 11:37
Posted in Running Dalton

by anna_ » 04 Nov 2020, 11:37 » in Running Dalton

0 Replies

3172 Views

Last post by anna_
04 Nov 2020, 11:37
MCSCF Magnetically Induced Current Density (MICD)

Last post by sanerdor « 31 Oct 2020, 12:44
Posted in Running Dalton

by sanerdor » 31 Oct 2020, 12:44 » in Running Dalton

0 Replies

4347 Views

Last post by sanerdor
31 Oct 2020, 12:44
Excited states permanent dipoles CCSD

Last post by mmondelo « 25 Oct 2020, 22:23
Posted in Running Dalton

by mmondelo » 25 Oct 2020, 22:23 » in Running Dalton

0 Replies

3988 Views

Last post by mmondelo
25 Oct 2020, 22:23
Release of the Dalton2020 suite

Last post by magnus « 20 Oct 2020, 22:03
Posted in Announcements

by magnus » 20 Oct 2020, 22:03 » in Announcements

0 Replies

46210 Views

Last post by magnus
20 Oct 2020, 22:03
PCM failure - TOO MANY VERTICES IN TESSERA

Last post by thomasmalcomson « 22 Sep 2020, 10:16
Posted in Running Dalton

by thomasmalcomson » 22 Sep 2020, 10:16 » in Running Dalton

0 Replies

3810 Views

Last post by thomasmalcomson
22 Sep 2020, 10:16
PCM with geometry optimization and properties

Last post by miro_ilias « 23 Nov 2019, 08:08
Posted in Running Dalton

by miro_ilias » 23 Nov 2019, 08:08 » in Running Dalton

0 Replies

9604 Views

Last post by miro_ilias
23 Nov 2019, 08:08
Should 4-amino-tempo has an imaginary frequency?

Last post by xiongyan21 « 10 Nov 2019, 06:22
Posted in Running Dalton

by xiongyan21 » 10 Nov 2019, 06:22 » in Running Dalton

0 Replies

9710 Views

Last post by xiongyan21
10 Nov 2019, 06:22
Please file bug reports on GitLab

Last post by magnus « 12 Sep 2019, 10:19
Posted in Bug reports

by magnus » 12 Sep 2019, 10:19 » in Bug reports

0 Replies

17689 Views

Last post by magnus
12 Sep 2019, 10:19
Damped TPA

Last post by Addiw7 « 26 Aug 2019, 14:23
Posted in Running LSDalton

by Addiw7 » 26 Aug 2019, 14:23 » in Running LSDalton

0 Replies

11178 Views

Last post by Addiw7
26 Aug 2019, 14:23
Mass Velocity Operator

Last post by juanjoaucar « 24 Jul 2019, 21:01
Posted in Bug reports

by juanjoaucar » 24 Jul 2019, 21:01 » in Bug reports

0 Replies

12160 Views

Last post by juanjoaucar
24 Jul 2019, 21:01
how to draw vector of triplet transition dipole moment ?

Last post by yflchem « 04 Jun 2019, 03:19
Posted in Running Dalton

by yflchem » 04 Jun 2019, 03:19 » in Running Dalton

0 Replies

11930 Views

Last post by yflchem
04 Jun 2019, 03:19
Solvation Model SMD with a scaled solvent-accessible-surface for pKa calculation

Last post by Rintintin « 29 Apr 2019, 02:10
Posted in Feature suggestions

by Rintintin » 29 Apr 2019, 02:10 » in Feature suggestions

0 Replies

20781 Views

Last post by Rintintin
29 Apr 2019, 02:10
memory requirements when running the quadratic response calculations

Last post by jtravers70 « 22 Apr 2019, 21:46
Posted in Running LSDalton

by jtravers70 » 22 Apr 2019, 21:46 » in Running LSDalton

0 Replies

14023 Views

Last post by jtravers70
22 Apr 2019, 21:46
Dalton2016.2 can run on macOS Mojave 10.14.3

Last post by xiongyan21 « 14 Feb 2019, 13:24
Posted in Installing Dalton

by xiongyan21 » 14 Feb 2019, 13:24 » in Installing Dalton

0 Replies

12367 Views

Last post by xiongyan21
14 Feb 2019, 13:24
Performance optimization with ScaLAPACK

Last post by sere « 04 Feb 2019, 11:44
Posted in Running LSDalton

by sere » 04 Feb 2019, 11:44 » in Running LSDalton

0 Replies

12632 Views

Last post by sere
04 Feb 2019, 11:44
Too many rejections when calculating TPA cross sections

Last post by tlovell « 24 Jan 2019, 20:15
Posted in Running LSDalton

by tlovell » 24 Jan 2019, 20:15 » in Running LSDalton

0 Replies

12807 Views

Last post by tlovell
24 Jan 2019, 20:15
Release of the Dalton2018 suite

Last post by magnus « 19 Nov 2018, 23:55
Posted in Announcements

by magnus » 19 Nov 2018, 23:55 » in Announcements

0 Replies

43643 Views

Last post by magnus
19 Nov 2018, 23:55
Molden input file in Jmol

Last post by taylor « 16 Jul 2018, 02:41
Posted in Bug reports

by taylor » 16 Jul 2018, 02:41 » in Bug reports

0 Replies

15659 Views

Last post by taylor
16 Jul 2018, 02:41
Oscillator Strength of Phosphorescence spectrum

Last post by cozch « 21 Mar 2018, 10:19
Posted in Running Dalton

by cozch » 21 Mar 2018, 10:19 » in Running Dalton

0 Replies

13153 Views

Last post by cozch
21 Mar 2018, 10:19
Compiling LSDALTON2016 with OpenACC enabled

Last post by zozonmr « 12 Mar 2018, 16:37
Posted in Running LSDalton

by zozonmr » 12 Mar 2018, 16:37 » in Running LSDalton

0 Replies

15651 Views

Last post by zozonmr
12 Mar 2018, 16:37
Tested DFT functionals for linear, quadratic and cubic response in DALTON2016

Last post by ankit7540 « 30 Nov 2017, 03:56
Posted in Running Dalton

by ankit7540 » 30 Nov 2017, 03:56 » in Running Dalton

0 Replies

13705 Views

Last post by ankit7540
30 Nov 2017, 03:56
Questions/problems related to CSR usage in LSDalton

Last post by elias « 09 Oct 2017, 11:41
Posted in Running LSDalton

by elias » 09 Oct 2017, 11:41 » in Running LSDalton

0 Replies

14742 Views

Last post by elias
09 Oct 2017, 11:41
how to restart a lr-cc calculation?

Last post by xjamesmao « 11 Aug 2017, 14:23
Posted in Running Dalton

by xjamesmao » 11 Aug 2017, 14:23 » in Running Dalton

0 Replies

13593 Views

Last post by xjamesmao
11 Aug 2017, 14:23
how to force Dalton to ignore symmetry

Last post by xjamesmao « 06 Aug 2017, 01:44
Posted in Running Dalton

by xjamesmao » 06 Aug 2017, 01:44 » in Running Dalton

0 Replies

12872 Views

Last post by xjamesmao
06 Aug 2017, 01:44
Most frequent error: smallbin double linked list corrupted: 0x000000000444aba0 ***

Last post by zozonmr « 04 Aug 2017, 12:19
Posted in Running LSDalton

by zozonmr » 04 Aug 2017, 12:19 » in Running LSDalton

0 Replies

14522 Views

Last post by zozonmr
04 Aug 2017, 12:19
Transition dipole moment between QDs excited states

Last post by niacobel « 25 Jul 2017, 10:35
Posted in Running LSDalton

by niacobel » 25 Jul 2017, 10:35 » in Running LSDalton

0 Replies

14709 Views

Last post by niacobel
25 Jul 2017, 10:35
odd error 2016.2

Last post by michaljz « 28 Jun 2017, 11:27
Posted in Running Dalton

by michaljz » 28 Jun 2017, 11:27 » in Running Dalton

0 Replies

13508 Views

Last post by michaljz
28 Jun 2017, 11:27
Orbital contributions-chemical shielding

Last post by sulfur « 16 Jun 2017, 14:11
Posted in Running Dalton

by sulfur » 16 Jun 2017, 14:11 » in Running Dalton

0 Replies

13766 Views

Last post by sulfur
16 Jun 2017, 14:11
DALTON setup script fails to run with Python 3

Last post by ankit7540 « 10 Jun 2017, 14:36
Posted in Installing Dalton

by ankit7540 » 10 Jun 2017, 14:36 » in Installing Dalton

0 Replies

14416 Views

Last post by ankit7540
10 Jun 2017, 14:36
Reason: Not enough memory to construct T2TP in CC3_OMEG

Last post by arunpal « 09 Jun 2017, 22:28
Posted in Running Dalton

by arunpal » 09 Jun 2017, 22:28 » in Running Dalton

0 Replies

13565 Views

Last post by arunpal
09 Jun 2017, 22:28
Segmentation Fault when running DEC with LSDALTON

Last post by jgamez « 23 May 2017, 14:35
Posted in Running LSDalton

by jgamez » 23 May 2017, 14:35 » in Running LSDalton

0 Replies

14827 Views

Last post by jgamez
23 May 2017, 14:35
Request to download Dalton 2015 version

Last post by particula94 « 22 May 2017, 04:13
Posted in Running Dalton

by particula94 » 22 May 2017, 04:13 » in Running Dalton

0 Replies

13561 Views

Last post by particula94
22 May 2017, 04:13
A strange problem about --blas and --lapack in setup script

Last post by lyzhao « 14 May 2017, 05:23
Posted in Installing Dalton

by lyzhao » 14 May 2017, 05:23 » in Installing Dalton

0 Replies

14707 Views

Last post by lyzhao
14 May 2017, 05:23
Problem in calculation of zfs using density functional theory

Last post by lopa « 31 Mar 2017, 13:49
Posted in Running Dalton

by lopa » 31 Mar 2017, 13:49 » in Running Dalton

0 Replies

13461 Views

Last post by lopa
31 Mar 2017, 13:49
VCD intensities with (apparently) wrong signs

Last post by tteodoro « 30 Mar 2017, 09:18
Posted in Running Dalton

by tteodoro » 30 Mar 2017, 09:18 » in Running Dalton

0 Replies

13601 Views

Last post by tteodoro
30 Mar 2017, 09:18
How to calculate spin-orbit matrix elements

Last post by cassie « 23 Mar 2017, 13:10
Posted in Running Dalton

by cassie » 23 Mar 2017, 13:10 » in Running Dalton

0 Replies

13734 Views

Last post by cassie
23 Mar 2017, 13:10
MEMGET error in Dalton 2016.0

Last post by Addiw7 « 11 Jan 2017, 20:34
Posted in Running Dalton

by Addiw7 » 11 Jan 2017, 20:34 » in Running Dalton

0 Replies

13408 Views

Last post by Addiw7
11 Jan 2017, 20:34
MPI Run Encounters gethostbyname failed

Last post by xiongyan21 « 18 Dec 2016, 04:30
Posted in Installing Dalton

by xiongyan21 » 18 Dec 2016, 04:30 » in Installing Dalton

0 Replies

14534 Views

Last post by xiongyan21
18 Dec 2016, 04:30
Primary orbitals are deleted during canonical orthonormaliza

Last post by baharehbamdad « 24 Oct 2016, 16:11
Posted in Running Dalton

by baharehbamdad » 24 Oct 2016, 16:11 » in Running Dalton

0 Replies

15404 Views

Last post by baharehbamdad
24 Oct 2016, 16:11
444 Dalton2016 licences

Last post by hjaaj « 23 Sep 2016, 08:26
Posted in Announcements

by hjaaj » 23 Sep 2016, 08:26 » in Announcements

0 Replies

21503 Views

Last post by hjaaj
23 Sep 2016, 08:26
Input for GASCI wave function

Last post by lestrange « 14 Sep 2016, 13:16
Posted in Running Dalton

by lestrange » 14 Sep 2016, 13:16 » in Running Dalton

0 Replies

14809 Views

Last post by lestrange
14 Sep 2016, 13:16
cc3-f12

Last post by liuzhencc « 08 Sep 2016, 15:49
Posted in Running Dalton

by liuzhencc » 08 Sep 2016, 15:49 » in Running Dalton

0 Replies

14785 Views

Last post by liuzhencc
08 Sep 2016, 15:49
cc3-f12

Last post by liuzhencc « 03 Sep 2016, 06:53
Posted in General discussions

by liuzhencc » 03 Sep 2016, 06:53 » in General discussions

0 Replies

14467 Views

Last post by liuzhencc
03 Sep 2016, 06:53
Calculation of spin-orbit coupling constant with PCM

Last post by lopa « 30 Aug 2016, 11:49
Posted in Running Dalton

by lopa » 30 Aug 2016, 11:49 » in Running Dalton

0 Replies

14209 Views

Last post by lopa
30 Aug 2016, 11:49
how to use lc-wpbe in dalton

Last post by qingchu « 02 Aug 2016, 08:55
Posted in Running Dalton

by qingchu » 02 Aug 2016, 08:55 » in Running Dalton

0 Replies

14863 Views

Last post by qingchu
02 Aug 2016, 08:55
Dalton 2016.2

Last post by hjaaj « 12 Jul 2016, 16:41
Posted in Announcements

by hjaaj » 12 Jul 2016, 16:41 » in Announcements

0 Replies

17228 Views

Last post by hjaaj
12 Jul 2016, 16:41
250 Dalton licences

Last post by hjaaj « 07 May 2016, 08:26
Posted in Announcements

by hjaaj » 07 May 2016, 08:26 » in Announcements

0 Replies

18067 Views

Last post by hjaaj
07 May 2016, 08:26

Search found 113 matches

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