Members: 1135  •  Posts: 3912  •  Topics: 1352

News and Announcements

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All news and announcements concerning the TURBOMOLE program.

44 Posts
42 Topics

Last post by uwe
in TURBOMOLE V7.9 released
on February 07, 2025, 06:05:28 PM

General FAQ

No New Posts General FAQ

This FAQ may help with some of the more quirky features of the program package.

16 Posts
16 Topics

Last post by uwe
in DFT-D3 settings compared...
on October 18, 2011, 10:12:18 AM

Installation and usage of TURBOMOLE

No New Posts Installing the Program

All problems, suggestions, and issues with TURBOMOLE installation.

44 Posts
19 Topics

Last post by uwe
in Re: MacOS installation p...
on April 07, 2025, 09:04:06 AM

No New Posts Sequential Runs

All problems, suggestions, and issues with TURBOMOLE running on single processor machines.

13 Posts
4 Topics

Last post by uwe
in Re: problem with point_c...
on December 11, 2013, 03:00:02 PM

No New Posts Parallel Runs

All problems, suggestions, and issues with TURBOMOLE running on parallel architectures.

217 Posts
73 Topics

Last post by uwe
in Re: Can turbomole run wi...
on April 05, 2024, 04:59:12 PM

No New Posts TMOLE Script

All problems, suggestions, and issues with running TURBOMOLE using the script TMOLE.

38 Posts
17 Topics

Last post by uwe
in Re: Set charge of molecu...
on October 27, 2020, 05:09:15 PM

TURBOMOLE Modules

No New Posts Define

Questions, problems, suggestions concerning the Define module.

285 Posts
96 Topics

Last post by uwe
in Re: Automatimg Define
on April 17, 2025, 12:41:10 PM

No New Posts Jobex: Structure Optimization and Molecular Dynamics

Questions, problems, suggestions concerning structure optimizations and ab Initio molecular dynamics using the Jobex script.

324 Posts
113 Topics

Last post by glebreto
in Re: Jobex increases the ...
on April 30, 2025, 02:59:07 PM

No New Posts Statpt

Questions, problems, suggestions concerning the Statpt module.

103 Posts
32 Topics

Last post by jmkormanik
in Re: statpt - geoired.f: ...
on April 09, 2024, 10:29:54 AM

No New Posts Relax

Questions, problems, suggestions concerning the Relax module.

40 Posts
9 Topics

Last post by gunnar.schmitz
in Re: JOBBSSE and constrai...
on February 04, 2020, 10:04:33 AM

No New Posts Ridft, Rdgrad, Dscf, Grad

Questions, problems, suggestions concerning Hartree-Fock and DFT calculations using the Ridft, Rdgrad, Dscf, and Grad modules.

411 Posts
141 Topics

Last post by uwe
in Re: Is it possible to us...
on March 27, 2025, 06:58:12 PM

No New Posts Riper

Questions, problems, suggestions concerning molecular and periodic DFT calculations using the Riper module.

89 Posts
28 Topics

Last post by uwe
in Re: FDE with periodic bo...
on April 11, 2025, 06:05:08 PM

No New Posts Escf and Egrad

Questions, problems, suggestions concerning Hartree-Fock and DFT response calculations: stability, dynamic response properties, and excited states

267 Posts
97 Topics

Last post by chris.hol
in Re: SOC Constants
on May 07, 2025, 04:18:27 PM

No New Posts Rirpa

Questions, problems, suggestions concerning the Rirpa module.

5 Posts
2 Topics

Last post by yannickf
in Re: how to use sigma fun...
on January 12, 2024, 12:21:10 PM

No New Posts Ricc2

Questions, problems, suggestions concerning second-order approximate coupled-cluster (CC2) calculations using the Ricc2 module.

495 Posts
154 Topics

Last post by fsymalla
in Re: COSMO-ADC(2) excited...
on March 11, 2025, 05:19:53 PM

No New Posts ccsdf12

Questions, problems and suggestions concerning the CCSD(F12) and CCSD(F12)(T) code

31 Posts
12 Topics

Last post by christof.haettig
in Re: (T) bit of CCSD(T) c...
on March 24, 2024, 05:23:02 PM

No New Posts pnoccsd

Question, problems and suggestions concerning the PNO-MP and PNO-CC code

0 Posts
0 Topics

No New Posts Mpgrad and Rimp2

Questions, problems, suggestions concerning second-order Møller-Plesset perturbation theory calculations using Mpgrad and Rimp2 modules.

76 Posts
21 Topics

Last post by Arnim
in Re: jobbsse with rimp2
on October 01, 2020, 03:31:19 PM

No New Posts Aoforce and Numforce

Questions, problems, suggestions concerning calculations of vibrational frequencies and infrared spectra using the Aoforce and Numforce modules.

416 Posts
113 Topics

Last post by avsfan92
in Re: Screwer vs Vibration
on April 17, 2025, 03:42:11 PM

No New Posts Mpshift

Questions, problems, suggestions concerning calculations of NMR shieldings using the Mpshift module.

34 Posts
8 Topics

Last post by straka
in Re: <trfdrs>: too big ...
on February 14, 2025, 11:39:14 AM

No New Posts Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools

Questions, problems, suggestions concerning molecular properties, wavefunction analysis, and interfaces to visualization tools.

282 Posts
98 Topics

Last post by t-iwasa
in Re: natural charge TURBO...
on October 30, 2024, 05:33:37 AM

No New Posts MoleControl

Questions, problems, suggestions concerning MoleControl which runs and controls Turbomole jobs using Python scripts.

0 Posts
0 Topics

No New Posts Treatment of Solvation Effects with COSMO

Questions, problems, suggestions concerning treatment of solvation effects with COSMO.

146 Posts
50 Topics

Last post by marand
in PTED-COSMO-CC2 gradients
on March 07, 2025, 06:11:59 PM

TmoleX - Graphical User Interface

No New Posts Installation problems

Board to describe and discuss problems during installation of TmoleX on Linux and Windows systems

11 Posts
5 Topics

Last post by tdejon
in TurboMole for LINUX ARM ...
on November 15, 2024, 10:44:12 AM

No New Posts TmoleX - general topics

Everything but installation problems with TmoleX

125 Posts
39 Topics

Last post by basiuk
in Re: TmoleX2024 - Generat...
on October 17, 2024, 11:37:45 PM

Forum General

No New Posts TURBOMOLE Forum General

General remarks and suggestions concerning the TURBOMOLE Forum.

78 Posts
27 Topics

Last post by christof.haettig
in Re: Two-photon absorptio...
on March 24, 2024, 04:48:49 PM

No New Posts Miscellaneous

All questions that do not fit into the above categories.

277 Posts
102 Topics

Last post by antti_karttunen
in Re: joining coord files
on June 04, 2024, 09:32:02 PM

Privacy Policy

No New Posts Privacy Policy

Privacy Policy of the Turbomole Users Forum

1 Posts
1 Topics

Last post by turbomaster
in Privacy Policy of the TU...
on May 23, 2018, 05:14:46 PM

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Re: SOC Constants by chris.hol (Escf and Egrad)
May 07, 2025, 04:18:27 PM
Re: Keywords for CVS-BSE in Turbomole 7.9 by chris.hol (Escf and Egrad)
May 07, 2025, 04:13:58 PM

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