PURPOSE: In this tutorial, it is described how to use module Pixelc to compute static charge density-based interaction energies and lattice energies of the test case used in Tutorials T1, T2 and T4.
REFERENCE to main manual: Sections 3.2 (Pixelc); 3.2.4 (input/output); 3.2.5 (how to run); 3.2.6 (pixpar.par); 3.2.7 (input file format); 3.2.8 (output).
FILES: You can find all the files you need to run this tutorial here: SAMPLExxa.den, pixpar.par, sample.inp, sample.oeh. For PIXEL calculations, a molecular charge density file computed at the MP2/6-31G** level of theory (extension .den) and the corresponding input (extension .inp) are required; you should have obtained both while working on Tutorial T2 for acetylsalicylic acid. A valid structure .oeh file is also needed; it has been built in Tutorial T1. Place .oeh, .den and .inp files, plus pertinent (Windows/Unix) macros, into your working directory.
