Practical guide to GW calculations: Difference between revisions

From VASP Wiki
No edit summary
Line 4: Line 4:


* [[GW recipes#g0w0|G0W0 calculations]]: single-shot ''G''<sub>0</sub>''W''<sub>0</sub> calculations  
* [[GW recipes#g0w0|G0W0 calculations]]: single-shot ''G''<sub>0</sub>''W''<sub>0</sub> calculations  
* [[GW recipes#gw0|GW0, GW calculations]]: selfconsistent with respect to QP energies in ''G'' (''GW''<sub>0</sub> calculations) or ''G'' AND ''W'' (''GW'' calculations)
* [[GW recipes#gw0|GW0, GW calculations]]: selfconsistent with respect to QP energies in ''G'' ({{TAG|ALGO}} = GW0) or ''G'' AND ''W'' ({{TAG|ALGO}} = GW0)
* [[GW recipes#scgw|scGW0 and scGW calculations]]: selfconsistent with respect to QP energies AND orbitals in ''G'' (sc''GW''0 calculations) or ''G'' AND ''W'' (sc''GW'' calculations)
* [[GW recipes#scgw|scGW0 and scGW calculations]]: selfconsistent with respect to QP energies AND orbitals in ''G'' ({{TAG|ALGO}} = scGW0) or ''G'' AND ''W'' ({{TAG|ALGO}} = scGW)
* [[DM calculations with GW routines]]: Determination of the frequency dependent dielectric matrix (DM) using the ''GW'' routines
* [[DM calculations with GW routines]]: Determination of the frequency dependent dielectric matrix (DM) using the ''GW'' routines
* [[scGW0 caveat]]
* [[scGW0 caveat]]

Revision as of 08:33, 8 March 2011

Available as of VASP.5.X. For details on the implementation and use of the GW routines we recommend the papers by Shishkin et al.[1][2][3] and Fuchs et al.[4]

Recipes

Related Tags and Sections

References


Contents