mirror of https://github.com/phonopy/phonopy.git
34 lines
775 B
Plaintext
34 lines
775 B
Plaintext
$basis
|
|
*
|
|
si cry-SVP
|
|
# si (10s7p1d) / [4s3p1d] {5311/511/1}
|
|
*
|
|
5 s
|
|
6903.7118686 0.13373962995E-02
|
|
1038.4346419 0.99966546241E-02
|
|
235.87581480 0.44910165101E-01
|
|
66.069385169 0.11463638540
|
|
20.247945761 0.10280063858
|
|
3 s
|
|
34.353481730 0.70837285010E-01
|
|
3.6370788192 -0.43028836252
|
|
1.4002048599 -0.41382774969
|
|
1 s
|
|
0.25943211957 1.0000000000
|
|
1 s
|
|
0.12000000000 1.0000000000
|
|
5 p
|
|
179.83907373 0.61916656462E-02
|
|
41.907258846 0.43399431982E-01
|
|
12.955294367 0.15632019351
|
|
4.4383267393 0.29419996982
|
|
1.5462247904 0.23536823814
|
|
1 p
|
|
0.40981363585 1.0000000000
|
|
1 p
|
|
0.12000000000 1.0000000000
|
|
1 d
|
|
0.35000000000 1.0000000000
|
|
*
|
|
$end
|