mirror of https://github.com/abinit/abinit.git
453 lines
29 KiB
Plaintext
453 lines
29 KiB
Plaintext
|
|
**** DERIVATIVE DATABASE ****
|
|
+DDB, Version number 100401
|
|
|
|
Note : temporary (transfer) database
|
|
|
|
usepaw 0
|
|
natom 2
|
|
nkpt 128
|
|
nsppol 1
|
|
nsym 24
|
|
ntypat 2
|
|
occopt 1
|
|
nband 4
|
|
acell 0.10610000000000D+02 0.10610000000000D+02 0.10610000000000D+02
|
|
amu 0.26981539000000D+02 0.74921590000000D+02
|
|
dilatmx 0.10000000000000D+01
|
|
ecut 0.30000000000000D+01
|
|
ecutsm 0.00000000000000D+00
|
|
intxc 0
|
|
iscf 5
|
|
ixc 7
|
|
kpt 0.00000000000000D+00 0.00000000000000D+00 -0.12500000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 -0.37500000000000D+00
|
|
0.00000000000000D+00 0.12500000000000D+00 -0.25000000000000D+00
|
|
0.00000000000000D+00 0.25000000000000D+00 -0.12500000000000D+00
|
|
0.12500000000000D+00 0.00000000000000D+00 -0.25000000000000D+00
|
|
0.12500000000000D+00 0.12500000000000D+00 -0.12500000000000D+00
|
|
0.25000000000000D+00 0.00000000000000D+00 -0.12500000000000D+00
|
|
0.00000000000000D+00 0.12500000000000D+00 0.50000000000000D+00
|
|
0.00000000000000D+00 0.25000000000000D+00 -0.37500000000000D+00
|
|
0.00000000000000D+00 0.37500000000000D+00 -0.25000000000000D+00
|
|
0.00000000000000D+00 0.50000000000000D+00 -0.12500000000000D+00
|
|
0.12500000000000D+00 0.00000000000000D+00 0.50000000000000D+00
|
|
0.12500000000000D+00 0.12500000000000D+00 -0.37500000000000D+00
|
|
0.12500000000000D+00 0.25000000000000D+00 -0.25000000000000D+00
|
|
0.12500000000000D+00 0.37500000000000D+00 -0.12500000000000D+00
|
|
0.25000000000000D+00 0.00000000000000D+00 -0.37500000000000D+00
|
|
0.25000000000000D+00 0.12500000000000D+00 -0.25000000000000D+00
|
|
0.25000000000000D+00 0.25000000000000D+00 -0.12500000000000D+00
|
|
0.37500000000000D+00 0.00000000000000D+00 -0.25000000000000D+00
|
|
0.37500000000000D+00 0.12500000000000D+00 -0.12500000000000D+00
|
|
0.50000000000000D+00 0.00000000000000D+00 -0.12500000000000D+00
|
|
0.00000000000000D+00 0.12500000000000D+00 0.25000000000000D+00
|
|
0.00000000000000D+00 0.25000000000000D+00 0.37500000000000D+00
|
|
0.00000000000000D+00 0.37500000000000D+00 0.50000000000000D+00
|
|
0.00000000000000D+00 0.50000000000000D+00 -0.37500000000000D+00
|
|
0.00000000000000D+00 -0.37500000000000D+00 -0.25000000000000D+00
|
|
0.00000000000000D+00 -0.25000000000000D+00 -0.12500000000000D+00
|
|
0.12500000000000D+00 0.00000000000000D+00 0.25000000000000D+00
|
|
0.12500000000000D+00 0.12500000000000D+00 0.37500000000000D+00
|
|
0.12500000000000D+00 0.25000000000000D+00 0.50000000000000D+00
|
|
0.12500000000000D+00 0.37500000000000D+00 -0.37500000000000D+00
|
|
0.12500000000000D+00 0.50000000000000D+00 -0.25000000000000D+00
|
|
0.12500000000000D+00 -0.37500000000000D+00 -0.12500000000000D+00
|
|
0.25000000000000D+00 0.00000000000000D+00 0.37500000000000D+00
|
|
0.25000000000000D+00 0.12500000000000D+00 0.50000000000000D+00
|
|
0.25000000000000D+00 0.25000000000000D+00 -0.37500000000000D+00
|
|
0.25000000000000D+00 0.37500000000000D+00 -0.25000000000000D+00
|
|
0.25000000000000D+00 0.50000000000000D+00 -0.12500000000000D+00
|
|
0.37500000000000D+00 0.00000000000000D+00 0.50000000000000D+00
|
|
0.37500000000000D+00 0.12500000000000D+00 -0.37500000000000D+00
|
|
0.37500000000000D+00 0.25000000000000D+00 -0.25000000000000D+00
|
|
0.37500000000000D+00 0.37500000000000D+00 -0.12500000000000D+00
|
|
0.50000000000000D+00 0.00000000000000D+00 -0.37500000000000D+00
|
|
0.50000000000000D+00 0.12500000000000D+00 -0.25000000000000D+00
|
|
0.50000000000000D+00 0.25000000000000D+00 -0.12500000000000D+00
|
|
-0.37500000000000D+00 0.00000000000000D+00 -0.25000000000000D+00
|
|
-0.37500000000000D+00 0.12500000000000D+00 -0.12500000000000D+00
|
|
-0.25000000000000D+00 0.00000000000000D+00 -0.12500000000000D+00
|
|
0.00000000000000D+00 0.12500000000000D+00 0.00000000000000D+00
|
|
0.12500000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
|
|
0.12500000000000D+00 0.25000000000000D+00 0.25000000000000D+00
|
|
0.12500000000000D+00 0.37500000000000D+00 0.37500000000000D+00
|
|
0.12500000000000D+00 0.50000000000000D+00 0.50000000000000D+00
|
|
0.12500000000000D+00 -0.37500000000000D+00 -0.37500000000000D+00
|
|
0.12500000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
|
|
0.12500000000000D+00 -0.12500000000000D+00 -0.12500000000000D+00
|
|
0.25000000000000D+00 0.12500000000000D+00 0.25000000000000D+00
|
|
0.25000000000000D+00 0.25000000000000D+00 0.37500000000000D+00
|
|
0.25000000000000D+00 0.37500000000000D+00 0.50000000000000D+00
|
|
0.25000000000000D+00 0.50000000000000D+00 -0.37500000000000D+00
|
|
0.25000000000000D+00 -0.37500000000000D+00 -0.25000000000000D+00
|
|
0.25000000000000D+00 -0.25000000000000D+00 -0.12500000000000D+00
|
|
0.37500000000000D+00 0.12500000000000D+00 0.37500000000000D+00
|
|
0.37500000000000D+00 0.25000000000000D+00 0.50000000000000D+00
|
|
0.37500000000000D+00 0.37500000000000D+00 -0.37500000000000D+00
|
|
0.37500000000000D+00 0.50000000000000D+00 -0.25000000000000D+00
|
|
0.37500000000000D+00 -0.37500000000000D+00 -0.12500000000000D+00
|
|
0.50000000000000D+00 0.12500000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.25000000000000D+00 -0.37500000000000D+00
|
|
0.50000000000000D+00 0.37500000000000D+00 -0.25000000000000D+00
|
|
0.50000000000000D+00 0.50000000000000D+00 -0.12500000000000D+00
|
|
-0.37500000000000D+00 0.12500000000000D+00 -0.37500000000000D+00
|
|
-0.37500000000000D+00 0.25000000000000D+00 -0.25000000000000D+00
|
|
-0.37500000000000D+00 0.37500000000000D+00 -0.12500000000000D+00
|
|
-0.25000000000000D+00 0.12500000000000D+00 -0.25000000000000D+00
|
|
-0.25000000000000D+00 0.25000000000000D+00 -0.12500000000000D+00
|
|
-0.12500000000000D+00 0.12500000000000D+00 -0.12500000000000D+00
|
|
0.00000000000000D+00 0.37500000000000D+00 0.00000000000000D+00
|
|
0.12500000000000D+00 0.25000000000000D+00 0.00000000000000D+00
|
|
0.12500000000000D+00 0.37500000000000D+00 0.12500000000000D+00
|
|
0.12500000000000D+00 0.50000000000000D+00 0.25000000000000D+00
|
|
0.12500000000000D+00 -0.37500000000000D+00 0.37500000000000D+00
|
|
0.12500000000000D+00 -0.25000000000000D+00 0.50000000000000D+00
|
|
0.12500000000000D+00 -0.12500000000000D+00 -0.37500000000000D+00
|
|
0.25000000000000D+00 0.12500000000000D+00 0.00000000000000D+00
|
|
0.25000000000000D+00 0.25000000000000D+00 0.12500000000000D+00
|
|
0.25000000000000D+00 0.37500000000000D+00 0.25000000000000D+00
|
|
0.25000000000000D+00 0.50000000000000D+00 0.37500000000000D+00
|
|
0.25000000000000D+00 -0.37500000000000D+00 0.50000000000000D+00
|
|
0.25000000000000D+00 -0.25000000000000D+00 -0.37500000000000D+00
|
|
0.25000000000000D+00 -0.12500000000000D+00 -0.25000000000000D+00
|
|
0.37500000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.37500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
|
|
0.37500000000000D+00 0.25000000000000D+00 0.25000000000000D+00
|
|
0.37500000000000D+00 0.37500000000000D+00 0.37500000000000D+00
|
|
0.37500000000000D+00 0.50000000000000D+00 0.50000000000000D+00
|
|
0.37500000000000D+00 -0.37500000000000D+00 -0.37500000000000D+00
|
|
0.37500000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
|
|
0.37500000000000D+00 -0.12500000000000D+00 -0.12500000000000D+00
|
|
0.50000000000000D+00 0.12500000000000D+00 0.25000000000000D+00
|
|
0.50000000000000D+00 0.25000000000000D+00 0.37500000000000D+00
|
|
0.50000000000000D+00 0.37500000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.50000000000000D+00 -0.37500000000000D+00
|
|
0.50000000000000D+00 -0.37500000000000D+00 -0.25000000000000D+00
|
|
0.50000000000000D+00 -0.25000000000000D+00 -0.12500000000000D+00
|
|
-0.37500000000000D+00 0.12500000000000D+00 0.37500000000000D+00
|
|
-0.37500000000000D+00 0.25000000000000D+00 0.50000000000000D+00
|
|
-0.37500000000000D+00 0.37500000000000D+00 -0.37500000000000D+00
|
|
-0.37500000000000D+00 0.50000000000000D+00 -0.25000000000000D+00
|
|
-0.37500000000000D+00 -0.37500000000000D+00 -0.12500000000000D+00
|
|
-0.25000000000000D+00 0.12500000000000D+00 0.50000000000000D+00
|
|
-0.25000000000000D+00 0.25000000000000D+00 -0.37500000000000D+00
|
|
-0.25000000000000D+00 0.37500000000000D+00 -0.25000000000000D+00
|
|
-0.25000000000000D+00 0.50000000000000D+00 -0.12500000000000D+00
|
|
-0.12500000000000D+00 0.12500000000000D+00 -0.37500000000000D+00
|
|
-0.12500000000000D+00 0.25000000000000D+00 -0.25000000000000D+00
|
|
-0.12500000000000D+00 0.37500000000000D+00 -0.12500000000000D+00
|
|
0.12500000000000D+00 0.50000000000000D+00 0.00000000000000D+00
|
|
0.25000000000000D+00 0.37500000000000D+00 0.00000000000000D+00
|
|
0.37500000000000D+00 0.25000000000000D+00 0.00000000000000D+00
|
|
0.50000000000000D+00 0.12500000000000D+00 0.00000000000000D+00
|
|
0.12500000000000D+00 -0.25000000000000D+00 0.00000000000000D+00
|
|
0.25000000000000D+00 -0.37500000000000D+00 0.00000000000000D+00
|
|
0.37500000000000D+00 0.50000000000000D+00 0.00000000000000D+00
|
|
0.50000000000000D+00 0.37500000000000D+00 0.00000000000000D+00
|
|
-0.37500000000000D+00 0.25000000000000D+00 0.00000000000000D+00
|
|
-0.25000000000000D+00 0.12500000000000D+00 0.00000000000000D+00
|
|
kptnrm 0.10000000000000D+01
|
|
ngfft 12 12 12
|
|
nspden 1
|
|
nspinor 1
|
|
occ 0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
|
|
0.20000000000000D+01
|
|
rprim 0.00000000000000D+00 0.50000000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
|
|
0.50000000000000D+00 0.50000000000000D+00 0.00000000000000D+00
|
|
dfpt_sciss 0.00000000000000D+00
|
|
spinat 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
symafm 1 1 1 1 1 1 1 1 1 1 1 1
|
|
1 1 1 1 1 1 1 1 1 1 1 1
|
|
symrel 1 0 0 0 1 0 0 0 1
|
|
0 -1 1 0 -1 0 1 -1 0
|
|
-1 0 0 -1 0 1 -1 1 0
|
|
0 1 -1 1 0 -1 0 0 -1
|
|
-1 0 0 -1 1 0 -1 0 1
|
|
0 -1 1 1 -1 0 0 -1 0
|
|
1 0 0 0 0 1 0 1 0
|
|
0 1 -1 0 0 -1 1 0 -1
|
|
-1 0 1 -1 1 0 -1 0 0
|
|
0 -1 0 1 -1 0 0 -1 1
|
|
1 0 -1 0 0 -1 0 1 -1
|
|
0 1 0 0 0 1 1 0 0
|
|
1 0 -1 0 1 -1 0 0 -1
|
|
0 -1 0 0 -1 1 1 -1 0
|
|
-1 0 1 -1 0 0 -1 1 0
|
|
0 1 0 1 0 0 0 0 1
|
|
0 0 -1 0 1 -1 1 0 -1
|
|
1 -1 0 0 -1 1 0 -1 0
|
|
0 0 1 1 0 0 0 1 0
|
|
-1 1 0 -1 0 0 -1 0 1
|
|
0 0 1 0 1 0 1 0 0
|
|
1 -1 0 0 -1 0 0 -1 1
|
|
0 0 -1 1 0 -1 0 1 -1
|
|
-1 1 0 -1 0 1 -1 0 0
|
|
tnons 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
tolwfr 0.10000000000000D+01
|
|
tphysel 0.00000000000000D+00
|
|
tsmear 0.40000000000000D-01
|
|
typat 1 2
|
|
wtk 0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02 0.78125000000000D-02
|
|
0.78125000000000D-02 0.78125000000000D-02
|
|
xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
|
|
0.25000000000000D+00 0.25000000000000D+00 0.25000000000000D+00
|
|
znucl 0.13000000000000D+02 0.33000000000000D+02
|
|
zion 0.30000000000000D+01 0.50000000000000D+01
|
|
|
|
Description of the potentials (KB energies)
|
|
vrsio8 (for pseudopotentials)=100401
|
|
usepaw = 0
|
|
dimekb = 3 lmnmax= 3
|
|
Atom type= 1 pspso= 0 nekb= 2
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 1.7687444E+00 0.0000000E+00
|
|
2 1 1 0.0000000E+00 9.0055415E-01
|
|
Atom type= 2 pspso= 0 nekb= 1
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 8.3875106E-01
|
|
|
|
**** Database of total energy derivatives ****
|
|
Number of data blocks= 1
|
|
|
|
2nd derivatives (non-stat.) - # elements : 171
|
|
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.50079080245863D+01 0.00000000000000D+00
|
|
1 1 2 1 0.25039540244786D+01 0.00000000000000D+00
|
|
1 1 3 1 0.25039540244786D+01 0.00000000000000D+00
|
|
1 1 1 2 -0.50078395729531D+01 -0.73319347970208D-18
|
|
1 1 2 2 -0.25039130162106D+01 0.22662441458424D-17
|
|
1 1 3 2 -0.25039130162106D+01 0.32760426586439D-17
|
|
1 1 1 4 -0.56248311417917D+01 0.00000000000000D+00
|
|
1 1 2 4 0.27721532541714D-07 0.00000000000000D+00
|
|
1 1 3 4 0.27721532541714D-07 0.00000000000000D+00
|
|
1 1 1 5 0.28349264506159D-11 0.00000000000000D+00
|
|
1 1 2 5 0.28365092912940D-11 0.00000000000000D+00
|
|
1 1 3 5 0.30262951763175D-11 0.00000000000000D+00
|
|
1 1 1 6 -0.33863730306644D-12 0.00000000000000D+00
|
|
1 1 2 6 -0.78124813508193D+00 0.00000000000000D+00
|
|
1 1 3 6 -0.78124841761962D+00 0.00000000000000D+00
|
|
2 1 1 1 0.25039540244786D+01 0.00000000000000D+00
|
|
2 1 2 1 0.50079080245863D+01 0.00000000000000D+00
|
|
2 1 3 1 0.25039540001077D+01 0.00000000000000D+00
|
|
2 1 1 2 -0.25039197712981D+01 0.22662441458424D-17
|
|
2 1 2 2 -0.50078395729531D+01 -0.28893229789905D-17
|
|
2 1 3 2 -0.25039198016550D+01 0.21964918420478D-17
|
|
2 1 1 4 0.17806458021628D-07 0.00000000000000D+00
|
|
2 1 2 4 -0.56248312009228D+01 0.00000000000000D+00
|
|
2 1 3 4 -0.17806458021628D-07 0.00000000000000D+00
|
|
2 1 1 5 -0.19258380578766D-12 0.00000000000000D+00
|
|
2 1 2 5 -0.19978869319409D-14 0.00000000000000D+00
|
|
2 1 3 5 0.19040894292020D-12 0.00000000000000D+00
|
|
2 1 1 6 -0.78124878412451D+00 0.00000000000000D+00
|
|
2 1 2 6 -0.22888281336171D-14 0.00000000000000D+00
|
|
2 1 3 6 -0.78124841761996D+00 0.00000000000000D+00
|
|
3 1 1 1 0.25039540244786D+01 0.00000000000000D+00
|
|
3 1 2 1 0.25039540001077D+01 0.00000000000000D+00
|
|
3 1 3 1 0.50079080002154D+01 0.00000000000000D+00
|
|
3 1 1 2 -0.25039197712981D+01 0.32760426586439D-17
|
|
3 1 2 2 -0.25039265567425D+01 0.21964918420478D-17
|
|
3 1 3 2 -0.50078463583975D+01 0.72872500766219D-17
|
|
3 1 1 4 0.59131115269064D-07 0.00000000000000D+00
|
|
3 1 2 4 -0.11457418074534D-06 0.00000000000000D+00
|
|
3 1 3 4 -0.56248311595981D+01 0.00000000000000D+00
|
|
3 1 1 5 -0.30286461413702D-11 0.00000000000000D+00
|
|
3 1 2 5 -0.28369092986727D-11 0.00000000000000D+00
|
|
3 1 3 5 -0.28392352973081D-11 0.00000000000000D+00
|
|
3 1 1 6 -0.78124878412485D+00 0.00000000000000D+00
|
|
3 1 2 6 -0.78124813508261D+00 0.00000000000000D+00
|
|
3 1 3 6 0.33485041416551D-12 0.00000000000000D+00
|
|
1 2 1 1 -0.50078257228245D+01 0.73319347970208D-18
|
|
1 2 2 1 -0.25039197712981D+01 -0.22662441458424D-17
|
|
1 2 3 1 -0.25039197712981D+01 -0.32760426586439D-17
|
|
1 2 1 2 0.50078275240292D+01 0.00000000000000D+00
|
|
1 2 2 2 0.25039137179998D+01 0.00000000000000D+00
|
|
1 2 3 2 0.25039137180000D+01 0.00000000000000D+00
|
|
1 2 1 4 -0.44782784895823D+02 0.00000000000000D+00
|
|
1 2 2 4 -0.75671796384569D-07 0.00000000000000D+00
|
|
1 2 3 4 -0.75671796384569D-07 0.00000000000000D+00
|
|
1 2 1 5 -0.45102177094821D-12 0.00000000000000D+00
|
|
1 2 2 5 -0.66133883638684D-12 0.00000000000000D+00
|
|
1 2 3 5 -0.35885189428522D-12 0.00000000000000D+00
|
|
1 2 1 6 -0.46158303331249D-12 0.00000000000000D+00
|
|
1 2 2 6 0.78126409924150D+00 0.00000000000000D+00
|
|
1 2 3 6 0.78126693111559D+00 0.00000000000000D+00
|
|
2 2 1 1 -0.25039130162106D+01 -0.22662441458424D-17
|
|
2 2 2 1 -0.50078257228245D+01 0.28893229789905D-17
|
|
2 2 3 1 -0.25039127066138D+01 -0.21964918420478D-17
|
|
2 2 1 2 0.25039137179998D+01 0.00000000000000D+00
|
|
2 2 2 2 0.50078275240257D+01 0.00000000000000D+00
|
|
2 2 3 2 0.25039138060274D+01 0.00000000000000D+00
|
|
2 2 1 4 -0.22963641962949D-06 0.00000000000000D+00
|
|
2 2 2 4 -0.44782784146274D+02 0.00000000000000D+00
|
|
2 2 3 4 0.22963641962949D-06 0.00000000000000D+00
|
|
2 2 1 5 -0.29428284384995D-12 0.00000000000000D+00
|
|
2 2 2 5 -0.18403984596315D-12 0.00000000000000D+00
|
|
2 2 3 5 0.26516460565042D-12 0.00000000000000D+00
|
|
2 2 1 6 0.78124665901850D+00 0.00000000000000D+00
|
|
2 2 2 6 0.34802931006266D-14 0.00000000000000D+00
|
|
2 2 3 6 0.78126693111549D+00 0.00000000000000D+00
|
|
3 2 1 1 -0.25039130162106D+01 -0.32760426586439D-17
|
|
3 2 2 1 -0.25039059515263D+01 -0.21964918420478D-17
|
|
3 2 3 1 -0.50078186581402D+01 -0.72872500766219D-17
|
|
3 2 1 2 0.25039137180000D+01 0.00000000000000D+00
|
|
3 2 2 2 0.25039138060274D+01 0.00000000000000D+00
|
|
3 2 3 2 0.50078276120548D+01 0.00000000000000D+00
|
|
3 2 1 4 -0.74954893813867D-06 0.00000000000000D+00
|
|
3 2 2 4 0.90089253698668D-06 0.00000000000000D+00
|
|
3 2 3 4 -0.44782784666186D+02 0.00000000000000D+00
|
|
3 2 1 5 0.11663320786269D-12 0.00000000000000D+00
|
|
3 2 2 5 0.29740165161922D-12 0.00000000000000D+00
|
|
3 2 3 5 0.23269020358396D-12 0.00000000000000D+00
|
|
3 2 1 6 0.78124665901844D+00 0.00000000000000D+00
|
|
3 2 2 6 0.78126409924128D+00 0.00000000000000D+00
|
|
3 2 3 6 0.48820866806005D-13 0.00000000000000D+00
|
|
1 4 1 1 -0.56248093092128D+01 0.00000000000000D+00
|
|
1 4 2 1 0.17806458021628D-07 0.00000000000000D+00
|
|
1 4 3 1 0.59131115269064D-07 0.00000000000000D+00
|
|
1 4 1 2 -0.44782816674032D+02 0.00000000000000D+00
|
|
1 4 2 2 -0.22963641962949D-06 0.00000000000000D+00
|
|
1 4 3 2 -0.74954893813867D-06 0.00000000000000D+00
|
|
1 4 1 4 -0.21874678464949D+03 0.00000000000000D+00
|
|
1 4 2 4 0.72915595096660D+02 0.00000000000000D+00
|
|
1 4 3 4 0.72915594469313D+02 0.00000000000000D+00
|
|
1 4 1 5 -0.34694469519536D-17 0.00000000000000D+00
|
|
1 4 2 5 0.00000000000000D+00 0.00000000000000D+00
|
|
1 4 3 5 -0.34694469519536D-17 0.00000000000000D+00
|
|
1 4 1 6 0.21380458345259D+01 0.00000000000000D+00
|
|
1 4 2 6 -0.21380400454596D+01 0.00000000000000D+00
|
|
1 4 3 6 -0.21380374872876D+01 0.00000000000000D+00
|
|
2 4 1 1 0.27721532541714D-07 0.00000000000000D+00
|
|
2 4 2 1 -0.56248093683439D+01 0.00000000000000D+00
|
|
2 4 3 1 -0.59131115269064D-07 0.00000000000000D+00
|
|
2 4 1 2 -0.75671796384569D-07 0.00000000000000D+00
|
|
2 4 2 2 -0.44782815924483D+02 0.00000000000000D+00
|
|
2 4 3 2 0.74954893813867D-06 0.00000000000000D+00
|
|
2 4 1 4 0.72915595096660D+02 0.00000000000000D+00
|
|
2 4 2 4 -0.21874678464949D+03 0.00000000000000D+00
|
|
2 4 3 4 0.72915595083516D+02 0.00000000000000D+00
|
|
2 4 1 5 0.26020852139652D-17 0.00000000000000D+00
|
|
2 4 2 5 -0.34694469519536D-17 0.00000000000000D+00
|
|
2 4 3 5 0.34694469519536D-17 0.00000000000000D+00
|
|
2 4 1 6 -0.21380458345259D+01 0.00000000000000D+00
|
|
2 4 2 6 0.21380400454596D+01 0.00000000000000D+00
|
|
2 4 3 6 -0.21380374872876D+01 0.00000000000000D+00
|
|
3 4 1 1 0.27721532541714D-07 0.00000000000000D+00
|
|
3 4 2 1 -0.17806458021628D-07 0.00000000000000D+00
|
|
3 4 3 1 -0.56248093270193D+01 0.00000000000000D+00
|
|
3 4 1 2 -0.75671796384569D-07 0.00000000000000D+00
|
|
3 4 2 2 0.22963641962949D-06 0.00000000000000D+00
|
|
3 4 3 2 -0.44782816444396D+02 0.00000000000000D+00
|
|
3 4 1 4 0.72915594469313D+02 0.00000000000000D+00
|
|
3 4 2 4 0.72915595083516D+02 0.00000000000000D+00
|
|
3 4 3 4 -0.21874678464949D+03 0.00000000000000D+00
|
|
3 4 1 5 0.00000000000000D+00 0.00000000000000D+00
|
|
3 4 2 5 -0.17347234759768D-17 0.00000000000000D+00
|
|
3 4 3 5 -0.34694469519536D-17 0.00000000000000D+00
|
|
3 4 1 6 -0.21380458345259D+01 0.00000000000000D+00
|
|
3 4 2 6 -0.21380400454596D+01 0.00000000000000D+00
|
|
3 4 3 6 0.21380374872876D+01 0.00000000000000D+00
|
|
1 5 1 5 0.13860325910298D+01 0.00000000000000D+00
|
|
1 5 2 5 0.60570850420023D+00 0.00000000000000D+00
|
|
1 5 3 5 0.60570726390083D+00 0.00000000000000D+00
|
|
1 5 1 6 -0.95157220924173D-12 0.00000000000000D+00
|
|
1 5 2 6 -0.14206527994801D-11 0.00000000000000D+00
|
|
1 5 3 6 -0.11490011682779D-10 0.00000000000000D+00
|
|
2 5 1 5 0.60570732100516D+00 0.00000000000000D+00
|
|
2 5 2 5 0.13860337488467D+01 0.00000000000000D+00
|
|
2 5 3 5 0.60570726389994D+00 0.00000000000000D+00
|
|
2 5 1 6 0.11298034418849D-10 0.00000000000000D+00
|
|
2 5 2 6 0.69769437866510D-12 0.00000000000000D+00
|
|
2 5 3 6 -0.11479773541534D-10 0.00000000000000D+00
|
|
3 5 1 5 0.60570732100419D+00 0.00000000000000D+00
|
|
3 5 2 5 0.60570850419838D+00 0.00000000000000D+00
|
|
3 5 3 5 0.13860325339487D+01 0.00000000000000D+00
|
|
3 5 1 6 0.11298047045326D-10 0.00000000000000D+00
|
|
3 5 2 6 -0.14049586765478D-11 0.00000000000000D+00
|
|
3 5 3 6 0.63971687474549D-12 0.00000000000000D+00
|
|
1 6 1 5 -0.61226906787643D-13 0.00000000000000D+00
|
|
1 6 2 5 -0.19552567993054D-12 0.00000000000000D+00
|
|
1 6 3 5 -0.19575180812980D-12 0.00000000000000D+00
|
|
1 6 1 6 0.89592104497480D+00 0.00000000000000D+00
|
|
1 6 2 6 -0.20268258912767D-13 0.00000000000000D+00
|
|
1 6 3 6 0.94627746457694D-14 0.00000000000000D+00
|
|
2 6 1 5 -0.57460470527260D-14 0.00000000000000D+00
|
|
2 6 2 5 0.10047710848775D-13 0.00000000000000D+00
|
|
2 6 3 5 0.98532260212147D-14 0.00000000000000D+00
|
|
2 6 1 6 -0.20336322568680D-13 0.00000000000000D+00
|
|
2 6 2 6 0.89591889509577D+00 0.00000000000000D+00
|
|
2 6 3 6 0.31276569608124D-13 0.00000000000000D+00
|
|
3 6 1 5 0.17942924908500D-12 0.00000000000000D+00
|
|
3 6 2 5 0.18989041196195D-12 0.00000000000000D+00
|
|
3 6 3 5 0.65597203393950D-13 0.00000000000000D+00
|
|
3 6 1 6 0.10680349685132D-13 0.00000000000000D+00
|
|
3 6 2 6 0.31409514020032D-13 0.00000000000000D+00
|
|
3 6 3 6 0.89591978256121D+00 0.00000000000000D+00
|