Practical guide to GW calculations: Difference between revisions

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* [[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, scGW0 calculations]]: partially selfconsistent with respect to ''G'' ({{TAG|ALGO}}=GW0 or {{TAG|ALGO}}=scGW0)
* [[GW recipes#gw0|GW0, scGW0 calculations]]: partially selfconsistent, with respect to ''G'' ({{TAG|ALGO}}=GW0 or {{TAG|ALGO}}=scGW0)
* [[GW recipes#scgw|GW and scGW calculations]]: selfconsistent ''GW'' ({{TAG|ALGO}}=GW or {{TAG|ALGO}}=scGW)
* [[GW recipes#scgw|GW and scGW calculations]]: selfconsistent ''GW'' ({{TAG|ALGO}}=GW or {{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

Revision as of 17:01, 7 December 2012

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