TURBOMOLE Users Forum

All news and announcements concerning the TURBOMOLE program.

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

All problems, suggestions, and issues with TURBOMOLE installation.

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

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

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

Questions, problems, suggestions concerning the Define module.

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

Questions, problems, suggestions concerning the Statpt module.

Questions, problems, suggestions concerning the Relax module.

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

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

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

Questions, problems, suggestions concerning the Rirpa module.

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

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

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

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

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

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

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

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

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

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

Everything but installation problems with TmoleX

General remarks and suggestions concerning the TURBOMOLE Forum.

All questions that do not fit into the above categories.

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