Practical guide to GW calculations: Difference between revisions

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* {{TAG|NOMEGA}}, {{TAG|NOMEGAR}} number of frequency points
* {{TAG|NOMEGA}}, {{TAG|NOMEGAR}} number of frequency points
* {{TAG|LSPECTRAL}}: use the spectral method
* {{TAG|LSPECTRAL}}: use the spectral method
* {{TAG|OMEGAMAX}}, {{TAG|OMEGATL}} and {TAG|CSHIFT}}
* {{TAG|OMEGAMAX}}, {{TAG|OMEGATL}} and {{TAG|CSHIFT}}
* {{TAG|ENCUTGW}} energy cutoff for response function
* {{TAG|ENCUTGW}} energy cutoff for response function
* {{TAG|ENCUTGWSOFT}} soft cutoff for Coulomb kernel
* {{TAG|ENCUTGWSOFT}} soft cutoff for Coulomb kernel
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* {{TAG|LSELFENERGY}}: the frequency dependent self energy
* {{TAG|LSELFENERGY}}: the frequency dependent self energy
* {{TAG|LWAVE}}: selfconsistent {{FILE|GW}}
* {{TAG|LWAVE}}: selfconsistent {{FILE|GW}}
* Recipe for G<math>_0</math>W<math>_0</math> calculations: {{FILE|G0W0}}
* {{FILE|G0W0 calculations}}: Recipe for G<math>_0</math>W<math>_0</math> calculations  
* Recipe for selfconsistent {{FILE|GW}} calculations: {{FILE|scGW}}
* {{FILE|scGW calculations}}: Recipe for selfconsistent {{FILE|GW}} calculations
* Recipe for partially selfconsistent GW<math>_0</math> calculations: {{FILE|GW0}}
* {{FILE|GW0 calculations}}: Recipe for partially selfconsistent GW<math>_0</math> calculations
* Using the {{FILE|GW}} routines for the determination of frequency dependent dielectric matrix: {{FILE|DM}}
* {{FILE|DM calculations with GW routines}}: Determination of the frequency dependent dielectric matrix (DM) using the {{FILE|GW}} routines
* scGW<math>_0</math> {{FILE|caveat}}
* {{FILE|scGW0 caveat}}  


== References ==
== References ==

Revision as of 10:46, 23 February 2011

Frequency dependent GW calculations

Available as of VASP.5.X. For details on the implementation and use of the GW routines we recommend the following references: Ref. [1], [2], [3], [4].


Subsections

References


Howto's