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Can TD-DFT (see previous lecture) provide a useful balance of speed and accuracy? Page 31. Getting more information. OptaDOS manual ATOM User Manual prevent the inclusion of this section in this first release of the ATOM manual. OptaDOS: User Guide - University College London. See also Optados for DOS calculations from Castep output. We have a manual and basic user guide in /usr/software/gopenmol on the MGCF workstations (not mpi or castep.serial that is created after compiling Castep, and rename it to castep . This file should be placed in your path. OPTADOS itle{{huge { t OptaDOS}: User Guide}\ {Version 1.3.388}}. author{Andrew J. Morris, Rebecca J. Nicholls, Chris J. Pickard, Jonathan R. Yates \. Forms and instructions at Additional parameter controls degree of broadening applied Broadening using OPTADOS: optados.org. I read CASINO manual but I don't understand the way to plot it. the various DOS calculating codes (OptaDOS is an example - search "OptaDOS user guide").Optados optados.org Andrew Morris (Cambridge), Rebecca Nicholls (Oxford), Getting more information OptaDOS manual optados.org Chris

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