Variables: Difference between revisions
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<span id="test7"> <!--single variable anchor--> | <span id="test7"> <!--single variable anchor--> | ||
{{var1|NGsBlkXs|RL|Number of G-vectors in screening|This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.}} | {{var1|NGsBlkXs|RL|Number of G-vectors in screening|This determines the size of the dielectric matrix in G-space. Needed for the inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.}} | ||
</span> | </span> | ||
<span id="test7"> <!--single variable anchor--> | <span id="test7"> <!--single variable anchor--> | ||
{{var1|EXXRLvcs|RL|Number of G- | {{var1|EXXRLvcs|RL|Number of G-vectors used in the sum of the exchange self-energy Sx.| It needs careful convergence: not particularly time consuming, large values can be used to ensure convergence }} | ||
</span> | </span> | ||
Revision as of 14:19, 27 March 2017
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
htest6
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
NGsBlkXs(Units: RL) Meaning: Number of G-vectors in screening
Tip: This determines the size of the dielectric matrix in G-space. Needed for the inclusion of local field effects. It should be much smaller than the number of G-vectors needed to expand the wavefunctions. It needs careful convergence.
Variable:
EXXRLvcs(Units: RL) Meaning: Number of G-vectors used in the sum of the exchange self-energy Sx.
Tip: It needs careful convergence: not particularly time consuming, large values can be used to ensure convergence