Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation<xref ref-type="fn" rid="cpb142875fn1">*</xref>

Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation*

Zhang Han^a), Zhang Zhao-Hui^a), Zhao Xiao-Yan†^a), Zhang Tian-Yao^a), Yan Fang^a), Shen Jiang^b)

Convergence test for the energy cut-off of Gln unit cell with fixed k -point separation of 0.04 Å⁻¹ (a), and for the k -point separation with fixed energy cut-off of 1000 eV (b).