Nanobase is an atomic code developed by NanoAcademic for solving relativistic all electron atoms, generating norm conserving nonlocal pseudopotential and the corresponding pseudoatomic orbital, for use in other NanoAcademic software such as nanodcal. Nanobasis is written in Matlab.
An nanobase run contains the following five steps:

In step1, Dirac equation for allelectron single atom is solved selfconsistently where electronelectron interaction is taken into account at LDA or various GGA level.

Step2, generating pseudopotential from the allelectron solution. In chemical processes, hopefully atomic cores do not play an important role. Therefore, atomc core and core orbitals can be effectively removed using pseudopotential. The method of TroullierMartines pseudopotential is used. To properly calculate exchangecorrelation potential of valence electrons, core correction is included. The pseudopotential is further transformed into the KleinmanBylander separable form that is used by nanodcal. Nanobase uses well established criterions to check and eliminate any ghost states in KB.

Step3 is an optional step to calculate logarithmic derivatives as function of energy for a given radius R. A comparison between allelectron and pseudopotential logarithmic derivative gives a check on the transferability of the pseudopotential. The comparison of pseudopotential (PS) and KB logarithmic derivative gives a check on the existence of ghost states. If something is wrong in the logarithmic derivatives, one can go back to the previous step and tune computation parameters. Steps 13 are general procedures of any pseudopotential generation.

Step4 is specific for the calculation scheme of nanodcal. In this step, orbitals that vanish at a finite cut off (i.e. confined) are generated from the pseudoptential.

Finally, in step5, nanobase exports basis data file. Typically, less than one minute is needed to complete these five steps using a laptop.
Nanobase is run using a single input file having five blocks of input data corresponding to the above five steps:
 Parameters for calculating the all electron atom
 Parameters for generating pseudopotential
 Parameters for checking logarithmic derivative
 Parameters for generating confined orbtial functions
 Parameters for exporting data file.
More details can be found in the nanobase User Manual.
