These examples cover most programs and features of the CP package. See comments in file "environment_variables" in the top QE directory for instructions on how to run these examples. ----------------------------------------------------------------------- LIST AND CONTENT OF THE EXAMPLES example01: This example shows how to use cp.x to perform molecular dynamics simulation of SiO2. example02: This example shows how to use cp.x to perform molecular dynamics simulation of H2O. example03: This example shows how to use cp.x to perform molecular dynamics simulation of NH3. example04: This example shows how to use cp.x to perform molecular dynamics simulation of medium to large systems. This example consists in calculations with 32, 64, 128, 256 water molecules and takes a long time to execute. To run a calculation with up to N molecules, use: ./run_example N Note that "./run_example" alone does nothing. example05: This example shows how to use cp.x to calculate Wannier functions and to perform dynamics with an external electric field. (contributed by Manu Sharma) example06: Additional example of calculation of Wannier functions with cp.x, using the Jacobi Rotation algorithm for localizing Wannier functions (contributed by IRRMA, Lausanne) example07: This example shows how to use cp.x to perform TPSS metaGGA calculations for C4H6 example08: This example shows how to perform Born-Oppenheimer molecular dynamics with conjugate gradient algorithm for the electronic states and ensemble-DFT for treating metallic systems. It is a simple Si dimer. example09: This example shows how to use cp.x to perform molecular dynamics in the presence of an electric field described through the modern theory of the polarization. The example shows how to calculate high-frequency and static dielectric constants and Born effective charges. Additional feature-specific examples: autopilot-example: This example (a water molecule) shows how to use cp.x to perform molecular dynamics with variable parameters using AUTOPILOT. Restart_example: This example shows how to use cp.x together with pw.x to perform an electronic minimization at Gamma for SiO2.