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Plane wave code jobs
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Paratec 4.1 Online Documentation
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Termination of the relaxation
Setting plane wave code parameters
Plane wave code jobs
Exchange correlation functional
Diagonalization
Kpoint grid
Number of bands
Occupation numbers and gaussian smearing
Self-consistent iteration
Screening and mixing parameters
Broyden mixing
Linear mixing
Options for improved stress
External potential
Andrew Canning
Wed May 13 15:17:45 PDT 1998
