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BulkForm


Quick description:Format of bulk (`3col`,`2KK`,`3KK`)
Type:Character
Default:"3col" (Alive variable)

Detailed Description


Allowed values are `3col`,`2KK`,`3KK`. This variable indicates how the bulk
data are read and processed from the file. '3col' means 3 columns, containing
energy (eV), Real(eps_b) and Imag(eps_b), already broadened and ready for use.
'2KK' means 2 columns, the second containing (a usually unbroadened) Imag(eps_b),
so a Kramers-Kronig transform will be performed after.
'3KK' is like '2KK' but the Imag(eps_b) data are in the third column. If an error occurs (e.g. during the KK, or reading the file), the RAS/REELS will not be calculated, although the cell dielectric tensor will be saved to a
database.
which can take the following values:

Note that "3ir" is the default ordering of yambo o.eps-rpa files, as one might typically use a previously calculated spectrum. Remember to remove the headers and footers! If "2KK" or "3KK" is specified, the real part will be calculated from the imaginary part using a Kramers-Kronig transformation. In this case, a non-zero value of broadening BlkBroad must be specified.

Usage