next up previous contents index
Next: 11.24 c.nt.0700(1�����n������) Up: 11 �T���v���v�Z Previous: 11.22 pt.s111.ml03.esm(�\��������)

11.23 c.nt.0404(1�����n������)

�A�[���`�F�A(4,4)�J�[�{���i�m�`���[�u(CNT) ���d�q�����v�Z���s���B�������x���l�����@���v�Z�����B


����  
crystal structure 1 dimentional system IBRAV=6
lattice constant $a=20.65059$ a.u. $c/a=0.22511357$ $c=4.65$ a.u.(2.46 Å)
xc potentail PW91
energy cut-offs 25 Ry, 250 Ry
k point sampling Monkhost & Pack $1\times1\times30$, NKPT=15

next up previous contents index
Next: 11.24 c.nt.0700(1�����n������) Up: 11 �T���v���v�Z Previous: 11.22 pt.s111.ml03.esm(�\��������)
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)