Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Large-scale electronic structure calculation and its application   Several methodologies are developed for large-scale atomistic simulations
with fully quantum mechanical description of electron systems. The important
methodological concepts are (i) generalized Wannier state, (ii) Krylov subspace
and (iii) hybrid scheme within quantum mechanics. Test calculations are done
with upto 10$^6$ atoms using a standard workstation. As a practical nanoscale
calculation, the dynamical fracture of nanocrystalline silicon was simulated.

36
The categories of this paper are: cmp-lg
15
The categories of this paper are: nucl-ex
19
The categories of this paper are: eess
31
The categories of this paper are: ao-sci
27
The categories of this paper are: comp-gas
30
The categories of this paper are: q-alg
25
The categories of this paper are: patt-sol
1
The categories of this paper are: cs
5
The categories of this paper are: gr-qc
17
The categories of this paper are: q-fin
24
The categories of this paper are: dg-ga
6
The categories of this paper are: astro-ph
23
The categories of this paper are: solv-int
0
The categories of this paper are: hep-ph
35
The categories of this paper are: mtrl-th
9
The categories of this paper are: nlin