quantum-espresso

History

Paolo Giannozzi c018b37a53 Minor changes to example for cp/pw interoperability		2019-02-22 11:26:03 +01:00
..
reference	Restart_example moved to CPV/examples	2012-01-20 13:55:31 +00:00
README	Minor changes to example for cp/pw interoperability	2019-02-22 11:26:03 +01:00
run_example	Minor changes to example for cp/pw interoperability	2019-02-22 11:26:03 +01:00

README

This example shows how to use cp.x together with pw.x 
to perform an electronic minimization at Gamma for SiO2.
Note that
- it works only for Gamma point, of course
- it is no longer needed to set "wf_collect" to .t.
- the number of bands should be the same for CP and PW
- "prefix" for pw.x = "prefix"_"ndr" or "prefix_ndw" for cp.x