mirror of
https://github.com/triqs/dft_tools
synced 2024-07-11 05:43:48 +02:00
32 lines
1.0 KiB
Plaintext
32 lines
1.0 KiB
Plaintext
|
|
||
|
|
scale
|
||
|
|
1.0
|
||
|
|
|
||
|
|
scale1
|
||
|
|
1.0
|
||
|
|
|
||
|
|
scale2
|
||
|
|
1.0
|
||
|
|
|
||
|
|
scale3
|
||
|
|
1.0
|
||
|
|
|
||
|
|
avec
|
||
|
|
7.260500000 0.000000000 0.000000000
|
||
|
|
0.000000000 7.260500000 0.000000000
|
||
|
|
0.000000000 0.000000000 7.260500000
|
||
|
|
|
||
|
|
atoms
|
||
|
|
3 : nspecies
|
||
|
|
'Sr.in' : spfname
|
||
|
|
1 : natoms; atpos, bfcmt below
|
||
|
|
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
|
||
|
|
'V.in' : spfname
|
||
|
|
1 : natoms; atpos, bfcmt below
|
||
|
|
0.50000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000
|
||
|
|
'O.in' : spfname
|
||
|
|
3 : natoms; atpos, bfcmt below
|
||
|
|
0.00000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000
|
||
|
|
0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000
|
||
|
|
0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000
|