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quantum-espresso/examples/example26
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degironc 4c1a5e47c8 variables nelec, nelup and neldw removed from input 
now only tot_charge, tot_magnetization (REAL!) and multiplicity are available.
documentation updated
inputs in examples, tests and cptest updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5949 c92efa57-630b-4861-b058-cf58834340f0
 		2009-09-18 13:30:27 +00:00
..
reference Added example for Wannier function calculation using Jacobi localization. 2009-03-17 10:28:05 +00:00
README Added example for Wannier function calculation using Jacobi localization. 2009-03-17 10:28:05 +00:00
run_example variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00

README 

This is a second example of how to use cp.x to calculate Wannier functions 
(contributed by people at IRRMA Lausanne)

The first calculation finds the electronic ground state, while the
subsequent one calculates Wannier orbitals for a water molecule,
using Jacobi Rotation as localization algorithm (wfsd=3).