next up previous contents
Next: 1.15 How do I Up: 1. Howtos Previous: 1.13 How do I   Contents

1.14 How do I calculate the equilibrium structure at a given pressure?

Use what='mur_lc' and specify pressure=value in kbar in the THERMO_PW input. Note that in the input of pw.x you should give a geometry which is as close as possible to the equilibrium value found at the given pressure (see above).