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Welcome to the ORCA Forum. ORCA 5.0.3 has been released! Latest bugfix release in the ORCA 5.0.x series. For more information, please enter the forum. Menu. Orca Manual For Ab Initio, Dft And Semiempirical Scf-mo Package [PDF] 29 4.1. INPUT BLOCKS . 6.1.4.1. Standard Density Functional Calculations . 8.1.4.1 Standard Density Functional Calculations . installation instructions aside from the manual is the ORCA input library. The ORCA Input Library contains a collection of ORCA input that show you how to easily do various tasks using the many methods and approximations in the ORCA ORC A. - An ab initio, DFT and semiempirical SCF-MO package -. Version 4.1.0. Design and Scientific Directorship: Frank Neese Technical Directorship: ORCA is a general-purpose quantum chemistry program package that features Please refer to ORCA Manual (Section 11) for more information on ORCAWith the release of ORCA 4.1, they have moved our forum and download site to a new server at Trajectories can now be written in XYZ and PDF file format. The ORCA MD module allows to run ab initio molecular dynamics (AIMD) Here, you can download a PDF file which only contains the manual of the MD module: ORCA is an ab initio quantum chemistry program package. The details on implemented methods and how to use them can be found in the manual (registration