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quantum-espresso/GWW/examples
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joshuadelliott 332954cf26 Added functionality to GWL for iterative Www 2020-11-21 00:37:29 +00:00
..
example01 Removal of unneeded stuff from examples 2018-12-28 11:06:31 +01:00
example02 Unset executable flag [ci skip] 2019-11-20 15:51:54 +09:00
example03 Example GWW 03 reestablished. 2014-04-26 02:20:19 +00:00
example04 More cleanup of obsolete variables in examples 2019-02-22 22:20:39 +01:00
example05 Removal of unneeded stuff from examples 2018-12-28 11:06:31 +01:00
example06 Added functionality to GWL for iterative Www 2020-11-21 00:37:29 +00:00
README Added examples for simplAdded examples for simplee 2018-12-21 15:32:07 +01:00

README 

to run examples do

./run_example 

from the following directories: 

example01 computes the GW quasi-particle energies in CH4 (Methene molecule) 

example02 computes the GW quasi-particle energies in bulk Si (how to treat extended system)
             Note: in order to accelerate this example, used as a daily distribution test,
                     it is using parameters (a small 8-atom simulation cell whose Brillouin's zone 
                     is sample onlt at the Gamma point) giving quite unconverged results
example04     computes the dielectric function of Ag with simple_ip

example 05    computes the dielectric function of Si with simple_bse