YamboRTCarriersParser

Module that manages the parsing of the ndb.RT_carriers database created by yambo_rt.

class mppi.Parsers.YamboRTCarriersParser.YamboRTCarriersParser(file, verbose=True)[source]

Bases: object

Class to manage information about the real time distrubtion of carriers from the ndb.RT_carriers database created by yambo_rt.

Parameters:

  • file (string) – string with the name of the database to be parsed

  • verbose (boolean) – define the amount of information provided on terminal

E_bare

Array that contains the bare bands energies. The structure of the array is [numk*numbands]. Energies are expressed in eV The structure is k1*b1,k1*b2,..,k1*bn,k2*b1,…

Type:

np.array

f_bare

Array that contains the bare bands occupations. The structure of the array is [numk*numbands]

Type:

np.array

kpoints

Array that contains the kpoints in cartesian coordinates in units of 2*np.pi/alat (with a vector alat). The structure of the array is [numk,3], the first index runs over the kpoints and the second one gives the component

Type:

np.array

bands_kpts

Array with the [first_band,last_band,numk]

Type:

np.array

k_weight

Array that contains the weights of the kpoints. The structure of the array is [numk]

Type:

np.array

delta_E

Array that contains the time-dependent correction to the bands energies. The structure of the array is [time,numk*numbands]. Energies are expressed in eV

Type:

np.array

delta_f

Array that contains the time-dependent corrections to the bands occupations. The structure of the array is [time,numk*numbands]

Type:

np.array

build_f_bare_dos(dE=0.1, eta=0.05, broad_kind='lorentzian')[source]

For each kpoint build a dos which expresses the bare occupation level in terms of the energy. The energy ranges from the minum to the maximum of the E_bare variable.

Parameters:

  • dE (float) – energy step in eV

  • eta (float) – magnitude of the broading parameter (in the same units used for the values array)

  • broad_kind (string) – type of broading function used (lorentzian, gaussian)

Returns:

Instance of the Dos class. The object is an array of dos, one for

each kpoint

Return type:

Dos

get_info()[source]

Provide information on the attributes of the class

readDB(verbose)[source]

Read the data from the ndb.RT_carriers database created by yambo_rt. The variables are extracted from the database and stored in the attributes of the object.

Parameters:

verbose (boolean) – define the amount of information provided on terminal