News and Announcements

No New Posts News and Announcements

All news and announcements concerning the TURBOMOLE program.

29 Posts
28 Topics

Last post by turbomaster
in Turbomole 7.1 released
on July 19, 2016, 04:06:27 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.

29 Posts
13 Topics

Last post by mamun006
in Re: How to use M06-2X fu...
on June 11, 2015, 05:19:46 pm

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.

184 Posts
66 Topics

Last post by christof.haettig
in Re: Overall Speed-Up usi...
on October 01, 2015, 10:43:54 am

No New Posts TMOLE Script

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

35 Posts
15 Topics

Last post by uwe
in Re: PES scans while keep...
on December 17, 2013, 09:03:01 pm

TURBOMOLE Modules

No New Posts Define

Questions, problems, suggestions concerning the Define module.

197 Posts
70 Topics

Last post by footballplayer
in Re: How to define M06-L ...
on August 30, 2016, 02:11:44 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.

251 Posts
87 Topics

Last post by saurabh_911
in About calculation of sin...
on August 10, 2016, 01:40:58 pm

No New Posts Statpt

Questions, problems, suggestions concerning the Statpt module.

88 Posts
25 Topics

Last post by eedler
in Re: asterisks in definit...
on October 12, 2015, 01:22:25 pm

No New Posts Relax

Questions, problems, suggestions concerning the Relax module.

42 Posts
9 Topics

Last post by inozerox
in Re: JOBBSSE and constrai...
on June 11, 2016, 11:21:15 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.

282 Posts
102 Topics

Last post by uwe
in Re: error of main call t...
on May 10, 2016, 12:10:50 pm

No New Posts Riper

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

11 Posts
3 Topics

Last post by turbomaster
in Re: Riper displays non-p...
on July 18, 2016, 12:42:05 pm

No New Posts Escf and Egrad

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

169 Posts
64 Topics

Last post by JakubV
in Re: Obtaining more infor...
on August 23, 2016, 03:03:00 am

No New Posts Rirpa

Questions, problems, suggestions concerning the Rirpa module.

1 Posts
1 Topics

Last post by jeb
in Effective Core Potential...
on April 20, 2013, 07:37:55 pm

No New Posts Ricc2

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

391 Posts
118 Topics

Last post by skkim
in Re: RI-CCSD(T) with no F...
on August 23, 2016, 05:03:45 am

No New Posts ccsdf12

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

0 Posts
0 Topics

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.

72 Posts
20 Topics

Last post by christof.haettig
in Re: RIMP2-wavefunction
on September 25, 2015, 07:52:51 pm

No New Posts Aoforce and Numforce

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

333 Posts
87 Topics

Last post by kkyyllee
in Re: Difference between a...
on August 26, 2016, 04:02:44 pm

No New Posts Mpshift

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

33 Posts
9 Topics

Last post by christof.haettig
in Re: Supported functional...
on October 01, 2015, 11:04:46 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.

195 Posts
69 Topics

Last post by saurabh_911
in About calculation of sin...
on August 09, 2016, 08:41:38 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.

108 Posts
38 Topics

Last post by Arnim
in Re: Diffuse basis sets w...
on April 01, 2016, 01:57:04 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

8 Posts
3 Topics

Last post by uwe
in Re: TmoleX visualization...
on May 06, 2016, 04:46:02 pm

No New Posts TmoleX - general topics

Everything but installation problems with TmoleX

61 Posts
21 Topics

Last post by Jerry
in Surface Plots with Tmole...
on April 14, 2016, 04:04:32 pm

Forum General

No New Posts TURBOMOLE Forum General

General remarks and suggestions concerning the TURBOMOLE Forum.

52 Posts
17 Topics

Last post by inozerox
in $rpacor $maxcor $ricore ...
on June 11, 2016, 12:06:14 am

No New Posts Miscellaneous

All questions that do not fit into the above categories.

219 Posts
80 Topics

Last post by riteshruhela
in Re: Problem with AOMix
on July 08, 2016, 11:24:08 am

  • No New Posts
  • Redirect Board

TURBOMOLE Users Forum - Info Center

Recent Posts Recent Posts

Forum Stats Forum Stats

2863 Posts in 998 Topics by 776 Members. Latest Member: footballplayer
Latest Post: "Re: How to define M06-L ..." ( August 30, 2016, 02:11:44 pm )
View the most recent posts on the forum.

Users Online Users Online

5 Guests, 0 Users

Most Online Today: 11. Most Online Ever: 127 (August 09, 2009, 04:16:38 pm)