ecut variable


NAME

  ecut -plane wave energy cutoff

DESCRIPTION

The ecut variable determines the plane wave energy cutoff used for the description of wavefunctions. The value of ecut must be given in Rydberg units (1 Rydberg = 0.5 atomic unit = 13.6058 eV). The plane wave energy cutoff used for the description of the electronic charge density is 4 * ecut. If ecut=0, the basis set consists of a single plane wave (k=0).

DEFAULT VALUE

0

ALLOWED VALUES

Non-negative floating point

RELATED INFORMATION

ecuts



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