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**** DERIVATIVE DATABASE ****
+DDB, Version number 100401
Total DDB for GaP phonons including quadrupoles interactions
usepaw 0
natom 2
nkpt 256
nsppol 1
nsym 24
ntypat 2
occopt 1
nband 4
acell 0.10000000000000D+01 0.10000000000000D+01 0.10000000000000D+01
amu 0.69723000000000D+02 0.30973762000000D+02
dilatmx 0.10000000000000D+01
ecut 0.50000000000000D+01
ecutsm 0.00000000000000D+00
intxc 0
iscf 7
ixc 7
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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 0.10000000000000D-01
typat 1 2
wtk 0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02 0.39062500000000D-02 0.39062500000000D-02
0.39062500000000D-02
xred 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
0.25000000000000D+00 0.25000000000000D+00 0.25000000000000D+00
znucl 0.31000000000000D+02 0.15000000000000D+02
zion 0.30000000000000D+01 0.50000000000000D+01
Description of the potentials (KB energies)
vrsio8 (for pseudopotentials)=100401
usepaw = 0
dimekb = 4 lmnmax= 16
Atom type= 1 pspso= 0 nekb= 3
iln lpsang iproj ekb(:)
1 1 1 2.4780445E+00 0.0000000E+00 0.0000000E+00
2 2 1 0.0000000E+00 3.9361656E+01 0.0000000E+00
3 3 1 0.0000000E+00 0.0000000E+00 -1.9139454E+00
Atom type= 2 pspso= 0 nekb= 3
iln lpsang iproj ekb(:)
1 0 1 4.2409504E+00 0.0000000E+00 0.0000000E+00
2 1 1 0.0000000E+00 2.3136944E+00 0.0000000E+00
3 3 1 0.0000000E+00 0.0000000E+00 -1.4356977E+00
**** Database of total energy derivatives ****
Number of data blocks= 9
2nd derivatives (non-stat.) - # elements : 81
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
1 1 1 1 0.73992659165228D+01 0.00000000000000D+00
2 1 1 1 0.36996329582614D+01 0.00000000000000D+00
3 1 1 1 0.36996329582614D+01 0.00000000000000D+00
1 2 1 1 -0.73992384246588D+01 -0.15871886033611D-18
2 2 1 1 -0.36996192123294D+01 -0.11626986506102D-16
3 2 1 1 -0.36996192123294D+01 -0.15914439810017D-16
1 4 1 1 -0.58378086198476D+01 0.00000000000000D+00
2 4 1 1 0.17265103169567D-16 0.00000000000000D+00
3 4 1 1 -0.13817707474110D-16 0.00000000000000D+00
1 1 2 1 0.36996329582614D+01 0.00000000000000D+00
2 1 2 1 0.73992659165228D+01 0.00000000000000D+00
3 1 2 1 0.36996329582614D+01 0.00000000000000D+00
1 2 2 1 -0.36996192123294D+01 -0.11626986506102D-16
2 2 2 1 -0.73992384246588D+01 0.11402003568156D-17
3 2 2 1 -0.36996192123294D+01 0.53771888873597D-17
1 4 2 1 -0.37007434154172D-16 0.00000000000000D+00
2 4 2 1 -0.58378086198476D+01 0.00000000000000D+00
3 4 2 1 0.44584649550443D-16 0.00000000000000D+00
1 1 3 1 0.36996329582614D+01 0.00000000000000D+00
2 1 3 1 0.36996329582614D+01 0.00000000000000D+00
3 1 3 1 0.73992659165228D+01 0.00000000000000D+00
1 2 3 1 -0.36996192123294D+01 -0.15914439810017D-16
2 2 3 1 -0.36996192123294D+01 0.53771888873597D-17
3 2 3 1 -0.73992384246588D+01 -0.13980413006032D-17
1 4 3 1 0.37007434154172D-16 0.00000000000000D+00
2 4 3 1 -0.14367135450492D-16 0.00000000000000D+00
3 4 3 1 -0.58378086198476D+01 0.00000000000000D+00
1 1 1 2 -0.73992618060193D+01 0.15871886033611D-18
2 1 1 2 -0.36996309030097D+01 0.11626986506102D-16
3 1 1 2 -0.36996309030097D+01 0.15914439810017D-16
1 2 1 2 0.74002043294555D+01 0.00000000000000D+00
2 2 1 2 0.37001021647277D+01 0.00000000000000D+00
3 2 1 2 0.37001021647277D+01 0.00000000000000D+00
1 4 1 2 -0.44592719071613D+02 0.00000000000000D+00
2 4 1 2 0.24164963247549D-16 0.00000000000000D+00
3 4 1 2 0.97788859676285D-16 0.00000000000000D+00
1 1 2 2 -0.36996309030097D+01 0.11626986506102D-16
2 1 2 2 -0.73992618060193D+01 -0.11402003568156D-17
3 1 2 2 -0.36996309030097D+01 -0.53771888873597D-17
1 2 2 2 0.37001021647277D+01 0.00000000000000D+00
2 2 2 2 0.74002043294555D+01 0.00000000000000D+00
3 2 2 2 0.37001021647277D+01 0.00000000000000D+00
1 4 2 2 -0.29605947323338D-15 0.00000000000000D+00
2 4 2 2 -0.44592719071613D+02 0.00000000000000D+00
3 4 2 2 0.26547879568738D-15 0.00000000000000D+00
1 1 3 2 -0.36996309030097D+01 0.15914439810017D-16
2 1 3 2 -0.36996309030097D+01 -0.53771888873597D-17
3 1 3 2 -0.73992618060193D+01 0.13980413006032D-17
1 2 3 2 0.37001021647277D+01 0.00000000000000D+00
2 2 3 2 0.37001021647277D+01 0.00000000000000D+00
3 2 3 2 0.74002043294555D+01 0.00000000000000D+00
1 4 3 2 0.00000000000000D+00 0.00000000000000D+00
2 4 3 2 0.13922006898128D-15 0.00000000000000D+00
3 4 3 2 -0.44592719071613D+02 0.00000000000000D+00
1 1 1 4 -0.58378148491198D+01 0.00000000000000D+00
2 1 1 4 0.00000000000000D+00 0.00000000000000D+00
3 1 1 4 0.74014868308344D-16 0.00000000000000D+00
1 2 1 4 -0.44592714161914D+02 0.00000000000000D+00
2 2 1 4 -0.29605947323338D-15 0.00000000000000D+00
3 2 1 4 0.00000000000000D+00 0.00000000000000D+00
1 4 1 4 -0.20908110693176D+03 0.00000000000000D+00
2 4 1 4 0.69693702310585D+02 0.00000000000000D+00
3 4 1 4 0.69693702310585D+02 0.00000000000000D+00
1 1 2 4 -0.18671361771832D-16 0.00000000000000D+00
2 1 2 4 -0.58378148491198D+01 0.00000000000000D+00
3 1 2 4 0.22640298703680D-16 0.00000000000000D+00
1 2 2 4 0.20718573238280D-15 0.00000000000000D+00
2 2 2 4 -0.44592714161914D+02 0.00000000000000D+00
3 2 2 4 0.13922006898128D-15 0.00000000000000D+00
1 4 2 4 0.69693702310585D+02 0.00000000000000D+00
2 4 2 4 -0.20908110693176D+03 0.00000000000000D+00
3 4 2 4 0.69693702310585D+02 0.00000000000000D+00
1 1 3 4 -0.51896111116781D-16 0.00000000000000D+00
2 1 3 4 -0.81821287869864D-17 0.00000000000000D+00
3 1 3 4 -0.58378148491198D+01 0.00000000000000D+00
1 2 3 4 -0.85231909458966D-16 0.00000000000000D+00
2 2 3 4 -0.67294341262891D-16 0.00000000000000D+00
3 2 3 4 -0.44592714161914D+02 0.00000000000000D+00
1 4 3 4 0.69693702310585D+02 0.00000000000000D+00
2 4 3 4 0.69693702310585D+02 0.00000000000000D+00
3 4 3 4 -0.20908110693176D+03 0.00000000000000D+00
2nd derivatives (non-stat.) - # elements : 36
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
1 1 1 1 0.90948192603834D+01 -0.21318220668072D-06
2 1 1 1 0.37447447276952D+01 0.46840949102204D-16
3 1 1 1 0.37447447276952D+01 0.46270961518337D-16
1 2 1 1 -0.42735412530571D+01 -0.37374472285882D+01
2 2 1 1 -0.36261686906073D+01 -0.59792763014080D-01
3 2 1 1 -0.36261686906073D+01 -0.59792763014078D-01
1 1 2 1 0.37447447276952D+01 0.46840949102204D-16
2 1 2 1 0.74894894553904D+01 -0.18854956369160D-16
3 1 2 1 0.37447447276952D+01 0.85548458355040D-19
1 2 2 1 -0.36261686906073D+01 -0.59792763014080D-01
2 2 2 1 -0.72523373812145D+01 -0.11958552602816D+00
3 2 2 1 -0.36261686906073D+01 -0.59792763014080D-01
1 1 3 1 0.37447447276952D+01 0.46270961518337D-16
2 1 3 1 0.37447447276952D+01 0.85548458355040D-19
3 1 3 1 0.74894894553904D+01 0.49609121377334D-17
1 2 3 1 -0.36261686906073D+01 -0.59792763014078D-01
2 2 3 1 -0.36261686906073D+01 -0.59792763014080D-01
3 2 3 1 -0.72523373812145D+01 -0.11958552602816D+00
1 1 1 2 -0.42735475356543D+01 0.37374357826116D+01
2 1 1 2 -0.36261703439432D+01 0.59790536916452D-01
3 1 1 2 -0.36261703439432D+01 0.59790536916451D-01
1 2 1 2 0.92376918130798D+01 -0.14462898649763D-06
2 2 1 2 0.39589583120354D+01 -0.21683094768924D-15
3 2 1 2 0.39589583120354D+01 -0.21841424653331D-15
1 1 2 2 -0.36261703439432D+01 0.59790536916452D-01
2 1 2 2 -0.72523406878865D+01 0.11958107383291D+00
3 1 2 2 -0.36261703439432D+01 0.59790536916453D-01
1 2 2 2 0.39589583120354D+01 -0.21683094768924D-15
2 2 2 2 0.79179166240709D+01 -0.52942383469685D-15
3 2 2 2 0.39589583120354D+01 -0.43344323438766D-15
1 1 3 2 -0.36261703439432D+01 0.59790536916451D-01
2 1 3 2 -0.36261703439432D+01 0.59790536916453D-01
3 1 3 2 -0.72523406878865D+01 0.11958107383291D+00
1 2 3 2 0.39589583120354D+01 -0.21841424653331D-15
2 2 3 2 0.39589583120354D+01 -0.43344323438766D-15
3 2 3 2 0.79179166240709D+01 -0.50663673129934D-15
2nd derivatives (non-stat.) - # elements : 36
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
1 1 1 1 0.10064053032114D+02 -0.11081847165442D-12
2 1 1 1 0.38748928698393D+01 0.00000000000000D+00
3 1 1 1 0.38748928698393D+01 0.00000000000000D+00
1 2 1 1 -0.45790541970154D+00 -0.28314219315961D-11
2 2 1 1 -0.36819626501727D+01 -0.31594399618530D-15
3 2 1 1 -0.36819626501727D+01 -0.32203977924013D-15
1 1 2 1 0.38748928698393D+01 0.00000000000000D+00
2 1 2 1 0.77497857396786D+01 0.00000000000000D+00
3 1 2 1 0.38748928698393D+01 0.00000000000000D+00
1 2 2 1 -0.36819626501727D+01 -0.31594399618500D-15
2 2 2 1 -0.73639253003453D+01 -0.65045656340974D-15
3 2 2 1 -0.36819626501726D+01 -0.32471251954379D-15
1 1 3 1 0.38748928698393D+01 0.00000000000000D+00
2 1 3 1 0.38748928698393D+01 0.00000000000000D+00
3 1 3 1 0.77497857396786D+01 0.00000000000000D+00
1 2 3 1 -0.36819626501727D+01 -0.32203977924002D-15
2 2 3 1 -0.36819626501726D+01 -0.32471251954379D-15
3 2 3 1 -0.73639253003453D+01 -0.62549657949286D-15
1 1 1 2 -0.45791959418916D+00 0.31758269600644D-11
2 1 1 2 -0.36819769293680D+01 0.33321191092158D-15
3 1 1 2 -0.36819769293680D+01 0.33930769397660D-15
1 2 1 2 0.10241999179258D+02 -0.90334089995304D-12
2 2 1 2 0.41265583517470D+01 0.00000000000000D+00
3 2 1 2 0.41265583517471D+01 0.00000000000000D+00
1 1 2 2 -0.36819769293680D+01 0.33321191092149D-15
2 1 2 2 -0.73639538587360D+01 0.68499239288282D-15
3 1 2 2 -0.36819769293680D+01 0.34198043428033D-15
1 2 2 2 0.41265583517470D+01 0.00000000000000D+00
2 2 2 2 0.82531167034941D+01 0.00000000000000D+00
3 2 2 2 0.41265583517470D+01 0.00000000000000D+00
1 1 3 2 -0.36819769293680D+01 0.33930769397660D-15
2 1 3 2 -0.36819769293680D+01 0.34198043428033D-15
3 1 3 2 -0.73639538587359D+01 0.66003240896593D-15
1 2 3 2 0.41265583517471D+01 0.00000000000000D+00
2 2 3 2 0.41265583517471D+01 0.00000000000000D+00
3 2 3 2 0.82531167034941D+01 0.00000000000000D+00
2nd derivatives (non-stat.) - # elements : 36
qpt 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
1 1 1 1 0.88411919025650D+01 -0.48672924595355D-16
2 1 1 1 0.51527833106593D+01 0.21178794219036D-17
3 1 1 1 0.36884085919057D+01 0.41378047317071D-16
1 2 1 1 -0.39254660299619D+01 -0.39254660299327D+01
2 2 1 1 -0.38224258420994D+01 -0.39466017184379D+00
3 2 1 1 -0.35308058580889D+01 -0.10304018786248D+00
1 1 2 1 0.51527833106593D+01 0.21178794219036D-17
2 1 2 1 0.88411919025650D+01 0.52233755473574D-16
3 1 2 1 0.36884085919057D+01 0.16836118979316D-16
1 2 2 1 -0.38224258420994D+01 -0.39466017184379D+00
2 2 2 1 -0.39254660299619D+01 -0.39254660299327D+01
3 2 2 1 -0.35308058580889D+01 -0.10304018786248D+00
1 1 3 1 0.36884085919057D+01 0.41378047317071D-16
2 1 3 1 0.36884085919057D+01 0.16836118979316D-16
3 1 3 1 0.73768171838114D+01 0.21136478206325D-16
1 2 3 1 -0.35308058580889D+01 -0.10304018786248D+00
2 2 3 1 -0.35308058580889D+01 -0.10304018786248D+00
3 2 3 1 -0.70616117161779D+01 -0.20608037572496D+00
1 1 1 2 -0.39254698740739D+01 0.39254698740447D+01
2 1 1 2 -0.38224271234701D+01 0.39466145321443D+00
3 1 1 2 -0.35308084208302D+01 0.10304275060378D+00
1 2 1 2 0.91414696101010D+01 -0.13520256832043D-15
2 2 1 2 0.49168590102235D+01 0.58829983941767D-17
3 2 1 2 0.42246105998776D+01 0.11493902032520D-15
1 1 2 2 -0.38224271234701D+01 0.39466145321443D+00
2 1 2 2 -0.39254698740739D+01 0.39254698740447D+01
3 1 2 2 -0.35308084208302D+01 0.10304275060378D+00
1 2 2 2 0.49168590102235D+01 0.58829983941767D-17
2 2 2 2 0.91414696101010D+01 0.14509376520437D-15
3 2 2 2 0.42246105998775D+01 0.46766997164766D-16
1 1 3 2 -0.35308084208302D+01 0.10304275060378D+00
2 1 3 2 -0.35308084208302D+01 0.10304275060378D+00
3 1 3 2 -0.70616168416605D+01 0.20608550120756D+00
1 2 3 2 0.42246105998776D+01 0.11493902032520D-15
2 2 3 2 0.42246105998776D+01 0.46766997164766D-16
3 2 3 2 0.84492211997551D+01 0.58712439462014D-16
2nd derivatives (non-stat.) - # elements : 36
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
1 1 1 1 0.95124078528008D+01 0.13834983948783D-05
2 1 1 1 0.48805532673440D+01 0.12321240250777D+00
3 1 1 1 0.38011420940214D+01 -0.27933095998546D-16
1 2 1 1 -0.19430808635051D+00 -0.25068882241726D+00
2 2 1 1 -0.35767760652179D+01 -0.19916730716833D+00
3 2 1 1 -0.35736844096632D+01 -0.68345182582716D-01
1 1 2 1 0.48805596000853D+01 -0.12320546235268D+00
2 1 2 1 0.85744794555149D+01 0.12069643725693D-05
3 1 2 1 0.38011420940214D+01 0.67659474948189D-16
1 2 2 1 -0.38854791882914D+01 -0.71496815127856D-01
2 2 2 1 -0.37740077488762D+01 -0.35678238866536D+01
3 2 2 1 -0.35736844096632D+01 -0.68345182582719D-01
1 1 3 1 0.38011420940214D+01 -0.27933095998546D-16
2 1 3 1 0.38011420940214D+01 0.67659474948189D-16
3 1 3 1 0.76022841880427D+01 0.41363445119678D-17
1 2 3 1 -0.35736844096632D+01 -0.68345182582716D-01
2 2 3 1 -0.35736844096632D+01 -0.68345182582719D-01
3 2 3 1 -0.71473688193264D+01 -0.13669036516543D+00
1 1 1 2 -0.19430712655858D+00 0.25069794493456D+00
2 1 1 2 -0.38854846915024D+01 0.71505364951485D-01
3 1 1 2 -0.35736936017104D+01 0.68343497000610D-01
1 2 1 2 0.10187886380534D+02 -0.29085398964415D-07
2 2 1 2 0.48677269889233D+01 0.45217010973663D+00
3 2 1 2 0.43794283761008D+01 0.95880414268387D-16
1 1 2 2 -0.35767773963247D+01 0.19917424090489D+00
2 1 2 2 -0.37740132792010D+01 0.35678300554050D+01
3 1 2 2 -0.35736936017104D+01 0.68343497000613D-01
1 2 2 2 0.48677272166990D+01 -0.45216109949755D+00
2 2 2 2 0.94274278701894D+01 -0.12065649427073D-06
3 2 2 2 0.43794283761008D+01 0.18794298596719D-15
1 1 3 2 -0.35736936017104D+01 0.68343497000610D-01
2 1 3 2 -0.35736936017104D+01 0.68343497000613D-01
3 1 3 2 -0.71473872034208D+01 0.13668699400122D+00
1 2 3 2 0.43794283761008D+01 0.95880414268387D-16
2 2 3 2 0.43794283761008D+01 0.18794298596719D-15
3 2 3 2 0.87588567522016D+01 0.98226019665418D-16
2nd derivatives (non-stat.) - # elements : 36
qpt -2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
1 1 1 1 0.85109452769101D+01 0.55319893189901D-06
2 1 1 1 0.38838339757672D+01 0.22986735514466D+00
3 1 1 1 0.37586627692269D+01 0.21511919182507D-16
1 2 1 1 -0.38249548647112D+01 0.35369368871503D+01
2 2 1 1 -0.35907873778888D+01 -0.24153196828695D+00
3 2 1 1 -0.35112373864664D+01 -0.22757882965432D-11
1 1 2 1 0.38838359051782D+01 -0.22986680194572D+00
2 1 2 1 0.85109433473913D+01 -0.11063978638216D-05
3 1 2 1 0.37586627692269D+01 -0.28118708786127D-16
1 2 2 1 -0.35907829610884D+01 0.24153186844957D+00
2 2 2 1 -0.38249458945547D+01 -0.35369371132398D+01
3 2 2 1 -0.35112373864664D+01 -0.22747864681084D-11
1 1 3 1 0.37586627692269D+01 0.21511919182507D-16
2 1 3 1 0.37586627692269D+01 -0.28118708786127D-16
3 1 3 1 0.75173255384539D+01 0.77777942422640D-18
1 2 3 1 -0.35112373864664D+01 -0.22757882964664D-11
2 2 3 1 -0.35112373864664D+01 -0.22747864680316D-11
3 2 3 1 -0.70224747729328D+01 -0.45513420711649D-11
1 1 1 2 -0.38249631910058D+01 -0.35369400256443D+01
2 1 1 2 -0.35907887725842D+01 -0.24153085935550D+00
3 1 1 2 -0.35112475738215D+01 0.22762109835070D-11
1 2 1 2 0.94658316846124D+01 0.19512560653346D-06
2 2 1 2 0.43123297405416D+01 0.46785885550433D+00
3 2 1 2 0.41950346543367D+01 0.59755331062519D-16
1 1 2 2 -0.35907963480170D+01 0.24153219439057D+00
2 1 2 2 -0.38249690024733D+01 0.35369390165361D+01
3 1 2 2 -0.35112475738215D+01 0.22752091550722D-11
1 2 2 2 0.43123283286699D+01 -0.46785866037872D+00
2 2 2 2 0.94658330961005D+01 -0.39025121313236D-06
3 2 2 2 0.41950346543367D+01 -0.78107524405908D-16
1 1 3 2 -0.35112475738215D+01 0.22762109835095D-11
2 1 3 2 -0.35112475738215D+01 0.22752091550747D-11
3 1 3 2 -0.70224951476429D+01 0.45521874450926D-11
1 2 3 2 0.41950346543367D+01 0.59755331062519D-16
2 2 3 2 0.41950346543367D+01 -0.78107524405908D-16
3 2 3 2 0.83900693086734D+01 0.21604984006289D-17
2nd derivatives (non-stat.) - # elements : 36
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
1 1 1 1 0.98478264872565D+01 0.00000000000000D+00
2 1 1 1 0.60320740758058D+01 0.00000000000000D+00
3 1 1 1 0.38157524114507D+01 0.00000000000000D+00
1 2 1 1 0.79946205689029D-15 -0.85982690514734D-15
2 2 1 1 -0.36473037038949D+01 0.29886485869022D-14
3 2 1 1 -0.36473037038949D+01 0.26813129464984D-14
1 1 2 1 0.60320740758058D+01 0.00000000000000D+00
2 1 2 1 0.98478264872565D+01 0.00000000000000D+00
3 1 2 1 0.38157524114507D+01 0.00000000000000D+00
1 2 2 1 -0.36473037038949D+01 0.29886485869022D-14
2 2 2 1 -0.15420788078472D-14 -0.33055836641080D-15
3 2 2 1 -0.36473037038949D+01 0.26874030438720D-14
1 1 3 1 0.38157524114507D+01 0.00000000000000D+00
2 1 3 1 0.38157524114507D+01 0.00000000000000D+00
3 1 3 1 0.76315048229013D+01 0.00000000000000D+00
1 2 3 1 -0.36473037038949D+01 0.26813129464984D-14
2 2 3 1 -0.36473037038949D+01 0.26874030438720D-14
3 2 3 1 -0.72946074077898D+01 0.53675916304487D-14
1 1 1 2 0.79946205689029D-15 0.85982690514734D-15
2 1 1 2 -0.36473037038948D+01 -0.25931097878206D-14
3 1 1 2 -0.36473037038948D+01 -0.22857741474169D-14
1 2 1 2 0.10086793655763D+02 0.00000000000000D+00
2 2 1 2 0.55297108964817D+01 0.00000000000000D+00
3 2 1 2 0.45570827592818D+01 0.00000000000000D+00
1 1 2 2 -0.36473037038948D+01 -0.25931097878206D-14
2 1 2 2 -0.14706694874750D-14 0.33055836641080D-15
3 1 2 2 -0.36473037038948D+01 -0.22918642447904D-14
1 2 2 2 0.55297108964817D+01 0.00000000000000D+00
2 2 2 2 0.10086793655763D+02 0.00000000000000D+00
3 2 2 2 0.45570827592818D+01 0.00000000000000D+00
1 1 3 2 -0.36473037038948D+01 -0.22857741474169D-14
2 1 3 2 -0.36473037038948D+01 -0.22918642447904D-14
3 1 3 2 -0.72946074077896D+01 -0.45765140322855D-14
1 2 3 2 0.45570827592818D+01 0.00000000000000D+00
2 2 3 2 0.45570827592818D+01 0.00000000000000D+00
3 2 3 2 0.91141655185636D+01 0.00000000000000D+00
2nd derivatives (non-stat.) - # elements : 36
qpt -2.50000000E-01 5.00000000E-01 2.50000000E-01 1.0
1 1 1 1 0.83922200296980D+01 -0.37923424461267D-05
2 1 1 1 0.45892175255803D+01 0.27209264153894D-01
3 1 1 1 0.38030016901097D+01 0.27208000039745D-01
1 2 1 1 -0.34907570667255D+01 0.34907683057653D+01
2 2 1 1 -0.36016523445892D+01 0.29191521874483D-05
3 2 1 1 -0.34907599858777D+01 -0.11088403882383D+00
1 1 2 1 0.45892183395883D+01 -0.27211792382191D-01
2 1 2 1 0.91784358651686D+01 -0.25282282974090D-05
3 1 2 1 0.45892175255803D+01 0.27209264153894D-01
1 2 2 1 -0.33798730279017D+01 0.83198876365643D-05
2 2 2 1 0.40585592926819D-14 -0.22796910563264D-15
3 2 2 1 -0.33798730279017D+01 0.83198876381267D-05
1 1 3 1 0.38030025041177D+01 -0.27213056496340D-01
2 1 3 1 0.45892183395883D+01 -0.27211792382191D-01
3 1 3 1 0.83922200296980D+01 -0.37923424461152D-05
1 2 3 1 -0.34907653866131D+01 0.11089527786366D+00
2 2 3 1 -0.36016523445891D+01 0.29191521887921D-05
3 2 3 1 -0.34907683057653D+01 -0.34907570667255D+01
1 1 1 2 -0.34907672062349D+01 -0.34907655619884D+01
2 1 1 2 -0.33798772112525D+01 -0.14504787447895D-05
3 1 1 2 -0.34907686567136D+01 -0.11088835073591D+00
1 2 1 2 0.98338588243888D+01 -0.37517266051897D-05
2 2 1 2 0.50804007444052D+01 0.43866226624328D+00
3 2 1 2 0.47534592745588D+01 0.43866101566775D+00
1 1 2 2 -0.36016555569708D+01 0.30947251903789D-05
2 1 2 2 0.40585592926819D-14 0.22796952914911D-15
3 1 2 2 -0.36016555569708D+01 0.30947251888166D-05
1 2 2 2 0.50803995498300D+01 -0.43866476739435D+00
2 2 2 2 0.10160800294235D+02 -0.25011510701021D-05
3 2 2 2 0.50804007444052D+01 0.43866226624328D+00
1 1 3 2 -0.34907641115097D+01 0.11088999498235D+00
2 1 3 2 -0.33798772112525D+01 -0.14504787461334D-05
3 1 3 2 -0.34907655619884D+01 0.34907672062349D+01
1 2 3 2 0.47534580799835D+01 -0.43866601796989D+00
2 2 3 2 0.50803995498300D+01 -0.43866476739435D+00
3 2 3 2 0.98338588243888D+01 -0.37517266051579D-05
3rd derivatives (long wave) - # elements : 108
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
1 4 1 1 1 10 0.00000000000000D+00 -0.47155490563184D+02
2 4 1 1 1 10 0.00000000000000D+00 0.23577742676558D+02
3 4 1 1 1 10 0.00000000000000D+00 0.23577742676558D+02
1 4 2 1 1 10 0.00000000000000D+00 0.00000000000000D+00
2 4 2 1 1 10 0.00000000000000D+00 0.23577744790807D+02
3 4 2 1 1 10 0.00000000000000D+00 0.00000000000000D+00
1 4 3 1 1 10 0.00000000000000D+00 0.00000000000000D+00
2 4 3 1 1 10 0.00000000000000D+00 0.00000000000000D+00
3 4 3 1 1 10 0.00000000000000D+00 0.23577744224468D+02
1 4 1 2 1 10 0.00000000000000D+00 0.20375488315993D+02
2 4 1 2 1 10 0.00000000000000D+00 -0.10187755196543D+02
3 4 1 2 1 10 0.00000000000000D+00 -0.10187755196543D+02
1 4 2 2 1 10 0.00000000000000D+00 0.00000000000000D+00
2 4 2 2 1 10 0.00000000000000D+00 -0.10187746460906D+02
3 4 2 2 1 10 0.00000000000000D+00 0.00000000000000D+00
1 4 3 2 1 10 0.00000000000000D+00 0.00000000000000D+00
2 4 3 2 1 10 0.00000000000000D+00 0.00000000000000D+00
3 4 3 2 1 10 0.00000000000000D+00 -0.10187748525815D+02
1 1 1 4 1 10 0.00000000000000D+00 0.47155490563184D+02
2 1 1 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
3 1 1 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
1 2 1 4 1 10 0.00000000000000D+00 -0.20375488315993D+02
2 2 1 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
3 2 1 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
1 1 2 4 1 10 0.00000000000000D+00 -0.23577742676558D+02
2 1 2 4 1 10 0.00000000000000D+00 -0.23577744790807D+02
3 1 2 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
1 2 2 4 1 10 0.00000000000000D+00 0.10187755196543D+02
2 2 2 4 1 10 0.00000000000000D+00 0.10187746460906D+02
3 2 2 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
1 1 3 4 1 10 0.00000000000000D+00 -0.23577742676558D+02
2 1 3 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
3 1 3 4 1 10 0.00000000000000D+00 -0.23577744224468D+02
1 2 3 4 1 10 0.00000000000000D+00 0.10187755196543D+02
2 2 3 4 1 10 0.00000000000000D+00 -0.00000000000000D+00
3 2 3 4 1 10 0.00000000000000D+00 0.10187748525815D+02
1 4 1 1 2 10 0.00000000000000D+00 0.23577744224468D+02
2 4 1 1 2 10 0.00000000000000D+00 0.00000000000000D+00
3 4 1 1 2 10 0.00000000000000D+00 0.00000000000000D+00
1 4 2 1 2 10 0.00000000000000D+00 0.23577742676558D+02
2 4 2 1 2 10 0.00000000000000D+00 -0.47155490563184D+02
3 4 2 1 2 10 0.00000000000000D+00 0.23577742676558D+02
1 4 3 1 2 10 0.00000000000000D+00 0.00000000000000D+00
2 4 3 1 2 10 0.00000000000000D+00 0.00000000000000D+00
3 4 3 1 2 10 0.00000000000000D+00 0.23577744790807D+02
1 4 1 2 2 10 0.00000000000000D+00 -0.10187748525815D+02
2 4 1 2 2 10 0.00000000000000D+00 0.00000000000000D+00
3 4 1 2 2 10 0.00000000000000D+00 0.00000000000000D+00
1 4 2 2 2 10 0.00000000000000D+00 -0.10187755196543D+02
2 4 2 2 2 10 0.00000000000000D+00 0.20375488315993D+02
3 4 2 2 2 10 0.00000000000000D+00 -0.10187755196543D+02
1 4 3 2 2 10 0.00000000000000D+00 0.00000000000000D+00
2 4 3 2 2 10 0.00000000000000D+00 0.00000000000000D+00
3 4 3 2 2 10 0.00000000000000D+00 -0.10187746460906D+02
1 1 1 4 2 10 0.00000000000000D+00 -0.23577744224468D+02
2 1 1 4 2 10 0.00000000000000D+00 -0.23577742676558D+02
3 1 1 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
1 2 1 4 2 10 0.00000000000000D+00 0.10187748525815D+02
2 2 1 4 2 10 0.00000000000000D+00 0.10187755196543D+02
3 2 1 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
1 1 2 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
2 1 2 4 2 10 0.00000000000000D+00 0.47155490563184D+02
3 1 2 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
1 2 2 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
2 2 2 4 2 10 0.00000000000000D+00 -0.20375488315993D+02
3 2 2 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
1 1 3 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
2 1 3 4 2 10 0.00000000000000D+00 -0.23577742676558D+02
3 1 3 4 2 10 0.00000000000000D+00 -0.23577744790807D+02
1 2 3 4 2 10 0.00000000000000D+00 -0.00000000000000D+00
2 2 3 4 2 10 0.00000000000000D+00 0.10187755196543D+02
3 2 3 4 2 10 0.00000000000000D+00 0.10187746460906D+02
1 4 1 1 3 10 0.00000000000000D+00 0.23577744224468D+02
2 4 1 1 3 10 0.00000000000000D+00 0.00000000000000D+00
3 4 1 1 3 10 0.00000000000000D+00 0.00000000000000D+00
1 4 2 1 3 10 0.00000000000000D+00 0.00000000000000D+00
2 4 2 1 3 10 0.00000000000000D+00 0.23577744224468D+02
3 4 2 1 3 10 0.00000000000000D+00 0.00000000000000D+00
1 4 3 1 3 10 0.00000000000000D+00 0.23577742676558D+02
2 4 3 1 3 10 0.00000000000000D+00 0.23577742676558D+02
3 4 3 1 3 10 0.00000000000000D+00 -0.47155490563184D+02
1 4 1 2 3 10 0.00000000000000D+00 -0.10187748525815D+02
2 4 1 2 3 10 0.00000000000000D+00 0.00000000000000D+00
3 4 1 2 3 10 0.00000000000000D+00 0.00000000000000D+00
1 4 2 2 3 10 0.00000000000000D+00 0.00000000000000D+00
2 4 2 2 3 10 0.00000000000000D+00 -0.10187748525815D+02
3 4 2 2 3 10 0.00000000000000D+00 0.00000000000000D+00
1 4 3 2 3 10 0.00000000000000D+00 -0.10187755196543D+02
2 4 3 2 3 10 0.00000000000000D+00 -0.10187755196543D+02
3 4 3 2 3 10 0.00000000000000D+00 0.20375488315993D+02
1 1 1 4 3 10 0.00000000000000D+00 -0.23577744224468D+02
2 1 1 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
3 1 1 4 3 10 0.00000000000000D+00 -0.23577742676558D+02
1 2 1 4 3 10 0.00000000000000D+00 0.10187748525815D+02
2 2 1 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
3 2 1 4 3 10 0.00000000000000D+00 0.10187755196543D+02
1 1 2 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
2 1 2 4 3 10 0.00000000000000D+00 -0.23577744224468D+02
3 1 2 4 3 10 0.00000000000000D+00 -0.23577742676558D+02
1 2 2 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
2 2 2 4 3 10 0.00000000000000D+00 0.10187748525815D+02
3 2 2 4 3 10 0.00000000000000D+00 0.10187755196543D+02
1 1 3 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
2 1 3 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
3 1 3 4 3 10 0.00000000000000D+00 0.47155490563184D+02
1 2 3 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
2 2 3 4 3 10 0.00000000000000D+00 -0.00000000000000D+00
3 2 3 4 3 10 0.00000000000000D+00 -0.20375488315993D+02
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