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Update test_kappa_LBTE.py

This commit is contained in:
Atsushi Togo 2021-11-02 22:18:48 +09:00
parent 69122431e7
commit fa83274c2b
1 changed files with 6 additions and 4 deletions
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10
test/phonon3/test_kappa_LBTE.py
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@ -1,11 +1,13 @@
"""Tests for direct solution of LBTE."""
import numpy as np
si_pbesol_kappa_LBTE = [111.802, 111.802, 111.802, 0, 0, 0]
si_pbesol_kappa_LBTE_redcol = [61.3504328, 61.3504328, 61.3504328, 0, 0, 0]
from phono3py.api_phono3py import Phono3py
si_pbesol_kappa_LBTE = [111.117, 111.117, 111.117, 0, 0, 0]
si_pbesol_kappa_LBTE_redcol = [63.019, 63.019, 63.019, 0, 0, 0]
def test_kappa_LBTE(si_pbesol):
def test_kappa_LBTE(si_pbesol: Phono3py):
"""Test for symmetry reduced collision matrix."""
si_pbesol.mesh_numbers = [9, 9, 9]
si_pbesol.init_phph_interaction()
@ -19,7 +21,7 @@ def test_kappa_LBTE(si_pbesol):
np.testing.assert_allclose(si_pbesol_kappa_LBTE, kappa, atol=0.5)
def test_kappa_LBTE_full_colmat(si_pbesol):
def test_kappa_LBTE_full_colmat(si_pbesol: Phono3py):
"""Test for full collision matrix."""
si_pbesol.mesh_numbers = [5, 5, 5]
si_pbesol.init_phph_interaction()