mirror of https://github.com/abinit/abinit.git
2104 lines
132 KiB
Plaintext
2104 lines
132 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 100401
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DDB file merged by MergeDdbAbinitTask on Sun Mar 11 13:17:47 2018
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usepaw 0
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natom 2
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nkpt 512
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nsppol 1
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nsym 48
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ntypat 1
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occopt 1
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nband 8
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acell 0.10000000000000D+01 0.10000000000000D+01 0.10000000000000D+01
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amu 0.28085500000000D+02
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dilatmx 0.10000000000000D+01
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ecut 0.18000000000000D+02
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ecutsm 0.00000000000000D+00
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intxc 0
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iscf 7
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ixc 11
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kpt 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02 0.19531250000000D-02
|
|
0.19531250000000D-02 0.19531250000000D-02
|
|
xred 0.87500000000000D+00 0.87500000000000D+00 0.87500000000000D+00
|
|
0.12500000000000D+00 0.12500000000000D+00 0.12500000000000D+00
|
|
znucl 0.14000000000000D+02
|
|
zion 0.40000000000000D+01
|
|
|
|
Description of the potentials (KB energies)
|
|
vrsio8 (for pseudopotentials)=100401
|
|
usepaw = 0
|
|
dimekb = 6 lmnmax= 6
|
|
Atom type= 1 pspso= 0 nekb= 6
|
|
iln lpsang iproj ekb(:)
|
|
1 0 1 5.1689652E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
2 0 2 0.0000000E+00 8.2988269E-01 0.0000000E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
3 1 1 0.0000000E+00 0.0000000E+00 2.5712823E+00 0.0000000E+00
|
|
0.0000000E+00 0.0000000E+00
|
|
4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 5.7830699E-01
|
|
0.0000000E+00 0.0000000E+00
|
|
5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
-2.4273106E+00 0.0000000E+00
|
|
6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
|
|
-2.4273106E+00 0.0000000E+00
|
|
|
|
**** Database of total energy derivatives ****
|
|
Number of data blocks= 29
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 5.00000000E-01 2.50000000E-01 1.0
|
|
1 1 1 1 0.67620130261910D+01 0.65558570215111D-15
|
|
2 1 1 1 0.35990777926427D+01 -0.22537418811587D+00
|
|
3 1 1 1 0.31629352390867D+01 -0.22537418811587D+00
|
|
1 2 1 1 0.23221539517089D+01 -0.23221539630937D+01
|
|
2 2 1 1 0.23221539647886D+01 -0.57449757504638D-08
|
|
3 2 1 1 0.23221539459639D+01 -0.28276066912988D-07
|
|
1 1 2 1 0.35990777926427D+01 0.22537418811587D+00
|
|
2 1 2 1 0.71981555341509D+01 -0.52171614323274D-15
|
|
3 1 2 1 0.35990777585177D+01 -0.22537418811587D+00
|
|
1 2 2 1 0.23221539647886D+01 -0.57449753063742D-08
|
|
2 2 2 1 0.91111734732902D-08 -0.23553163360898D-07
|
|
3 2 2 1 0.23221539412354D+01 -0.41529040680593D-07
|
|
1 1 3 1 0.31629352390867D+01 0.22537418811587D+00
|
|
2 1 3 1 0.35990777585177D+01 0.22537418811587D+00
|
|
3 1 3 1 0.67620130032617D+01 0.87066489458665D-15
|
|
1 2 3 1 0.23221539459639D+01 -0.28276065952876D-07
|
|
2 2 3 1 0.23221539412354D+01 -0.41529040164571D-07
|
|
3 2 3 1 0.23221539044349D+01 0.23221539125386D+01
|
|
1 1 1 2 0.23221539517089D+01 0.23221539630937D+01
|
|
2 1 1 2 0.23221539647886D+01 0.57449757504638D-08
|
|
3 1 1 2 0.23221539459639D+01 0.28276066912988D-07
|
|
1 2 1 2 0.67620130261910D+01 -0.10548106006541D-16
|
|
2 2 1 2 0.35990777926427D+01 0.22537418811587D+00
|
|
3 2 1 2 0.31629352390867D+01 0.22537418811587D+00
|
|
1 1 2 2 0.23221539647886D+01 0.57449753063742D-08
|
|
2 1 2 2 0.91111734732902D-08 0.23553163360898D-07
|
|
3 1 2 2 0.23221539412354D+01 0.41529040680593D-07
|
|
1 2 2 2 0.35990777926427D+01 -0.22537418811587D+00
|
|
2 2 2 2 0.71981555341509D+01 0.33395474958959D-16
|
|
3 2 2 2 0.35990777585177D+01 0.22537418811587D+00
|
|
1 1 3 2 0.23221539459639D+01 0.28276065952876D-07
|
|
2 1 3 2 0.23221539412354D+01 0.41529040164571D-07
|
|
3 1 3 2 0.23221539044349D+01 -0.23221539125386D+01
|
|
1 2 3 2 0.31629352390867D+01 -0.22537418811587D+00
|
|
2 2 3 2 0.35990777585177D+01 -0.22537418811587D+00
|
|
3 2 3 2 0.67620130032617D+01 -0.17513525113474D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 34
|
|
qpt -3.75000000E-01 5.00000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.73141509300328D+01 0.65095826546056D-15
|
|
2 1 1 1 0.41553206318935D+01 -0.18032042149869D+00
|
|
3 1 1 1 0.31588035851526D+01 -0.18033100952497D+00
|
|
1 2 1 1 0.14813193756143D+01 0.61358255938364D+00
|
|
2 2 1 1 -0.13273153605111D+00 0.24153442290840D+01
|
|
3 2 1 1 -0.13273151725882D+00 0.24153441908453D+01
|
|
1 1 2 1 0.41553206318935D+01 0.18032042149869D+00
|
|
2 1 2 1 0.74194741628164D+01 -0.35013802773266D-15
|
|
3 1 2 1 0.32641568072166D+01 -0.18032636912579D+00
|
|
1 2 2 1 -0.13273153605111D+00 0.24153442290840D+01
|
|
2 2 2 1 0.13004963852138D-07 -0.67374048229540D-09
|
|
3 2 2 1 -0.13273151302453D+00 0.24153441878910D+01
|
|
1 1 3 1 0.31588035851526D+01 0.18033100952497D+00
|
|
2 1 3 1 0.32641568072166D+01 0.18032636912579D+00
|
|
1 2 3 1 -0.13273151725882D+00 0.24153441908453D+01
|
|
2 2 3 1 -0.13273151302453D+00 0.24153441878910D+01
|
|
3 2 3 1 -0.17467824181817D+01 0.42171057976439D+01
|
|
1 1 1 2 0.14813193756143D+01 -0.61358255938364D+00
|
|
2 1 1 2 -0.13273153605111D+00 -0.24153442290840D+01
|
|
3 1 1 2 -0.13273151725882D+00 -0.24153441908453D+01
|
|
1 2 1 2 0.73141509300328D+01 -0.44882692149364D-16
|
|
2 2 1 2 0.41553206318935D+01 0.18032042149869D+00
|
|
3 2 1 2 0.31588035851526D+01 0.18033100952497D+00
|
|
1 1 2 2 -0.13273153605111D+00 -0.24153442290840D+01
|
|
2 1 2 2 0.13004963852138D-07 0.67374048229540D-09
|
|
3 1 2 2 -0.13273151302453D+00 -0.24153441878910D+01
|
|
1 2 2 2 0.41553206318935D+01 -0.18032042149869D+00
|
|
2 2 2 2 0.74194741628164D+01 0.37681089365407D-16
|
|
3 2 2 2 0.32641568072166D+01 0.18032636912579D+00
|
|
1 1 3 2 -0.13273151725882D+00 -0.24153441908453D+01
|
|
2 1 3 2 -0.13273151302453D+00 -0.24153441878910D+01
|
|
3 1 3 2 -0.17467824181817D+01 -0.42171057976439D+01
|
|
1 2 3 2 0.31588035851526D+01 -0.18033100952497D+00
|
|
2 2 3 2 0.32641568072166D+01 -0.18032636912579D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.68744729715806D+01 0.73963418250574D-15
|
|
2 1 1 1 0.35586709025948D+01 -0.21911442500233D+00
|
|
3 1 1 1 0.31372785723794D+01 -0.16907867357616D+00
|
|
1 2 1 1 0.20735438736432D+01 0.28789355231012D+01
|
|
2 2 1 1 -0.17120849065123D+00 0.26823310102824D+01
|
|
3 2 1 1 -0.10092752099031D+00 0.25126464403375D+01
|
|
1 1 2 1 0.35586709025948D+01 0.21911442500233D+00
|
|
2 1 2 1 0.71967392268288D+01 -0.30133146006770D-15
|
|
3 1 2 1 0.34595880587188D+01 -0.16908404043625D+00
|
|
1 2 2 1 -0.17120849065123D+00 0.26823310102824D+01
|
|
2 2 2 1 -0.19095621664690D+01 0.12633088378590D+01
|
|
3 2 2 1 -0.11301579080623D+00 0.25418496258323D+01
|
|
1 1 3 1 0.31372785723794D+01 0.16907867357616D+00
|
|
2 1 3 1 0.34595880587188D+01 0.16908404043625D+00
|
|
3 1 3 1 0.65968976140240D+01 0.61475766544312D-15
|
|
1 2 3 1 -0.10092752099031D+00 0.25126464403375D+01
|
|
2 2 3 1 -0.11301579080623D+00 0.25418496258323D+01
|
|
3 2 3 1 -0.18183821912263D+01 0.43899623794934D+01
|
|
1 1 1 2 0.20735438736432D+01 -0.28789355231012D+01
|
|
2 1 1 2 -0.17120849065123D+00 -0.26823310102824D+01
|
|
3 1 1 2 -0.10092752099031D+00 -0.25126464403375D+01
|
|
1 2 1 2 0.68744729715806D+01 0.72195936991872D-16
|
|
2 2 1 2 0.35586709025948D+01 0.21911442500233D+00
|
|
3 2 1 2 0.31372785723794D+01 0.16907867357616D+00
|
|
1 1 2 2 -0.17120849065123D+00 -0.26823310102824D+01
|
|
2 1 2 2 -0.19095621664690D+01 -0.12633088378590D+01
|
|
3 1 2 2 -0.11301579080623D+00 -0.25418496258323D+01
|
|
1 2 2 2 0.35586709025948D+01 -0.21911442500233D+00
|
|
2 2 2 2 0.71967392268288D+01 0.28266000367892D-16
|
|
3 2 2 2 0.34595880587188D+01 0.16908404043625D+00
|
|
1 1 3 2 -0.10092752099031D+00 -0.25126464403375D+01
|
|
2 1 3 2 -0.11301579080623D+00 -0.25418496258323D+01
|
|
3 1 3 2 -0.18183821912263D+01 -0.43899623794934D+01
|
|
1 2 3 2 0.31372785723794D+01 -0.16907867357616D+00
|
|
2 2 3 2 0.34595880587188D+01 -0.16908404043625D+00
|
|
3 2 3 2 0.65968976140240D+01 -0.51376149331978D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.71319476745939D+01 0.46408151898465D-15
|
|
2 1 1 1 0.38177923048107D+01 -0.22523507164332D+00
|
|
3 1 1 1 0.31657802140587D+01 -0.17825215435540D+00
|
|
1 2 1 1 0.22573993460763D+00 0.14844925421343D+01
|
|
2 2 1 1 -0.20021846722146D+01 0.16014269161180D+01
|
|
3 2 1 1 -0.18650518630897D+01 0.15531818912682D+01
|
|
1 1 2 1 0.38177923048107D+01 0.22523507164332D+00
|
|
2 1 2 1 0.71988210898879D+01 -0.59640328264102D-15
|
|
3 1 2 1 0.33788608877664D+01 -0.17226003068375D+00
|
|
1 2 2 1 -0.20021846722146D+01 0.16014269161180D+01
|
|
2 2 2 1 -0.21099656902542D+01 -0.77501714308281D+00
|
|
3 2 2 1 -0.18977120479318D+01 0.15240808468723D+01
|
|
1 1 3 1 0.31657802140587D+01 0.17825215435540D+00
|
|
2 1 3 1 0.33788608877664D+01 0.17226003068375D+00
|
|
3 1 3 1 0.65067999735599D+01 0.80290540833351D-15
|
|
1 2 3 1 -0.18650518630897D+01 0.15531818912682D+01
|
|
2 2 3 1 -0.18977120479318D+01 0.15240808468723D+01
|
|
3 2 3 1 -0.43987580574551D+01 0.15351749903911D+01
|
|
1 1 1 2 0.22573993460763D+00 -0.14844925421343D+01
|
|
2 1 1 2 -0.20021846722146D+01 -0.16014269161180D+01
|
|
3 1 1 2 -0.18650518630897D+01 -0.15531818912682D+01
|
|
1 2 1 2 0.71319476745939D+01 0.18257582349885D-16
|
|
2 2 1 2 0.38177923048107D+01 0.22523507164332D+00
|
|
3 2 1 2 0.31657802140587D+01 0.17825215435540D+00
|
|
1 1 2 2 -0.20021846722146D+01 -0.16014269161180D+01
|
|
2 1 2 2 -0.21099656902542D+01 0.77501714308281D+00
|
|
3 1 2 2 -0.18977120479318D+01 -0.15240808468723D+01
|
|
1 2 2 2 0.38177923048107D+01 -0.22523507164332D+00
|
|
2 2 2 2 0.71988210898878D+01 0.67995808658099D-16
|
|
3 2 2 2 0.33788608877664D+01 0.17226003068375D+00
|
|
1 1 3 2 -0.18650518630897D+01 -0.15531818912682D+01
|
|
2 1 3 2 -0.18977120479318D+01 -0.15240808468723D+01
|
|
3 1 3 2 -0.43987580574551D+01 -0.15351749903911D+01
|
|
1 2 3 2 0.31657802140587D+01 -0.17825215435540D+00
|
|
2 2 3 2 0.33788608877664D+01 -0.17226003068375D+00
|
|
3 2 3 2 0.65067999735599D+01 0.13503687008244D-15
|
|
|
|
2nd derivatives (non-stat.) - # elements : 32
|
|
qpt 5.00000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.73702125253336D+01 -0.28348010893790D-15
|
|
2 1 1 1 0.41149142954277D+01 -0.17199828626365D+00
|
|
3 1 1 1 0.32552745897900D+01 -0.17201935205960D+00
|
|
1 2 1 1 0.44866471872078D-04 -0.79129920073642D+00
|
|
2 2 1 1 -0.23957731727503D+01 -0.44384129451972D+00
|
|
3 2 1 1 -0.23957835115547D+01 -0.34744152061885D+00
|
|
1 1 2 1 0.41149142954277D+01 0.17199828626365D+00
|
|
2 1 2 1 0.73502995125953D+01 -0.75626205763972D-15
|
|
3 1 2 1 0.33586788517867D+01 -0.16552939952705D+00
|
|
1 2 2 1 -0.23957731727503D+01 -0.44384129451972D+00
|
|
2 2 2 1 -0.65580300868958D+00 -0.23399410782406D+01
|
|
3 2 2 1 -0.23957807709747D+01 -0.38934753832744D+00
|
|
1 1 3 1 0.32552745897900D+01 0.17201935205960D+00
|
|
2 1 3 1 0.33586788517867D+01 0.16552939952705D+00
|
|
1 2 3 1 -0.23957835115547D+01 -0.34744152061885D+00
|
|
2 2 3 1 -0.23957807709747D+01 -0.38934753832744D+00
|
|
1 1 1 2 0.44866471872078D-04 0.79129920073642D+00
|
|
2 1 1 2 -0.23957731727503D+01 0.44384129451972D+00
|
|
3 1 1 2 -0.23957835115547D+01 0.34744152061885D+00
|
|
1 2 1 2 0.73702125253336D+01 -0.73338222232902D-17
|
|
2 2 1 2 0.41149142954277D+01 0.17199828626365D+00
|
|
3 2 1 2 0.32552745897900D+01 0.17201935205960D+00
|
|
1 1 2 2 -0.23957731727503D+01 0.44384129451972D+00
|
|
2 1 2 2 -0.65580300868958D+00 0.23399410782406D+01
|
|
3 1 2 2 -0.23957807709747D+01 0.38934753832744D+00
|
|
1 2 2 2 0.41149142954277D+01 -0.17199828626365D+00
|
|
2 2 2 2 0.73502995125953D+01 -0.90724554059494D-16
|
|
3 2 2 2 0.33586788517867D+01 0.16552939952705D+00
|
|
1 1 3 2 -0.23957835115547D+01 0.34744152061885D+00
|
|
2 1 3 2 -0.23957807709747D+01 0.38934753832744D+00
|
|
1 2 3 2 0.32552745897899D+01 -0.17201935205960D+00
|
|
2 2 3 2 0.33586788517867D+01 -0.16552939952705D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.71342179079540D+01 0.68256437614525D-15
|
|
2 1 1 1 0.35113613966571D+01 -0.22068441022924D+00
|
|
3 1 1 1 0.31977655612183D+01 -0.16971232372154D+00
|
|
1 2 1 1 -0.11884904790074D+01 0.11033371655573D+01
|
|
2 2 1 1 -0.26414288108517D+01 -0.34958402935252D+00
|
|
3 2 1 1 -0.25056661636835D+01 -0.30762037422918D+00
|
|
1 1 2 1 0.35113613966571D+01 0.22068441022924D+00
|
|
2 1 2 1 0.70227228519843D+01 -0.27124633780760D-15
|
|
3 1 2 1 0.35113755911047D+01 -0.11873390536903D+00
|
|
1 2 2 1 -0.26414288108517D+01 -0.34958402935252D+00
|
|
2 2 2 1 -0.29909992248503D+01 -0.29909896150169D+01
|
|
3 2 2 1 -0.25476345728754D+01 -0.44338564705003D+00
|
|
1 1 3 1 0.31977655612183D+01 0.16971232372154D+00
|
|
2 1 3 1 0.35113755911046D+01 0.11873390536903D+00
|
|
3 1 3 1 0.66982877937393D+01 0.65644873794064D-15
|
|
1 2 3 1 -0.25056661636835D+01 -0.30762037422918D+00
|
|
2 2 3 1 -0.25476345728754D+01 -0.44338564705003D+00
|
|
3 2 3 1 -0.44575002215005D+01 -0.23532348216633D+01
|
|
1 1 1 2 -0.11884904790074D+01 -0.11033371655573D+01
|
|
2 1 1 2 -0.26414288108517D+01 0.34958402935252D+00
|
|
3 1 1 2 -0.25056661636835D+01 0.30762037422918D+00
|
|
1 2 1 2 0.71342179079540D+01 0.14695831276739D-16
|
|
2 2 1 2 0.35113613966571D+01 0.22068441022924D+00
|
|
3 2 1 2 0.31977655612183D+01 0.16971232372154D+00
|
|
1 1 2 2 -0.26414288108517D+01 0.34958402935252D+00
|
|
2 1 2 2 -0.29909992248503D+01 0.29909896150169D+01
|
|
3 1 2 2 -0.25476345728754D+01 0.44338564705003D+00
|
|
1 2 2 2 0.35113613966571D+01 -0.22068441022924D+00
|
|
2 2 2 2 0.70227228519843D+01 0.17284287204246D-15
|
|
3 2 2 2 0.35113755911047D+01 0.11873390536903D+00
|
|
1 1 3 2 -0.25056661636835D+01 0.30762037422918D+00
|
|
2 1 3 2 -0.25476345728754D+01 0.44338564705003D+00
|
|
3 1 3 2 -0.44575002215005D+01 0.23532348216633D+01
|
|
1 2 3 2 0.31977655612183D+01 -0.16971232372154D+00
|
|
2 2 3 2 0.35113755911047D+01 -0.11873390536903D+00
|
|
3 2 3 2 0.66982877937393D+01 -0.13154523786408D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.72539334440470D+01 -0.31910961518656D-15
|
|
2 1 1 1 0.36989635308268D+01 -0.20678018931488D+00
|
|
3 1 1 1 0.32820635756561D+01 -0.16106982449273D+00
|
|
1 2 1 1 0.31089516216592D+00 -0.90769729476046D+00
|
|
2 2 1 1 -0.14806501149854D+01 -0.21772421561430D+01
|
|
3 2 1 1 -0.14438247094977D+01 -0.20640620996436D+01
|
|
1 1 2 1 0.36989635308268D+01 0.20678018931489D+00
|
|
2 1 2 1 0.70687091937966D+01 -0.75441562320961D-15
|
|
3 1 2 1 0.34832857149839D+01 -0.11416176745622D+00
|
|
1 2 2 1 -0.14806501149854D+01 -0.21772421561430D+01
|
|
2 2 2 1 0.29927509502165D+00 -0.42871551157013D+01
|
|
3 2 2 1 -0.13816746422201D+01 -0.21887460890360D+01
|
|
1 1 3 1 0.32820635756561D+01 0.16106982449274D+00
|
|
2 1 3 1 0.34832857149838D+01 0.11416176745622D+00
|
|
3 1 3 1 0.66770355582373D+01 0.43384939037730D-15
|
|
1 2 3 1 -0.14438247094977D+01 -0.20640620996436D+01
|
|
2 2 3 1 -0.13816746422201D+01 -0.21887460890360D+01
|
|
3 2 3 1 -0.12762153596535D+01 -0.49171391390154D+01
|
|
1 1 1 2 0.31089516216592D+00 0.90769729476046D+00
|
|
2 1 1 2 -0.14806501149854D+01 0.21772421561430D+01
|
|
3 1 1 2 -0.14438247094977D+01 0.20640620996436D+01
|
|
1 2 1 2 0.72539334440470D+01 0.12656240908605D-16
|
|
2 2 1 2 0.36989635308268D+01 0.20678018931489D+00
|
|
3 2 1 2 0.32820635756561D+01 0.16106982449274D+00
|
|
1 1 2 2 -0.14806501149854D+01 0.21772421561430D+01
|
|
2 1 2 2 0.29927509502165D+00 0.42871551157013D+01
|
|
3 1 2 2 -0.13816746422201D+01 0.21887460890360D+01
|
|
1 2 2 2 0.36989635308268D+01 -0.20678018931489D+00
|
|
2 2 2 2 0.70687091937966D+01 -0.88281813190805D-16
|
|
3 2 2 2 0.34832857149839D+01 0.11416176745622D+00
|
|
1 1 3 2 -0.14438247094977D+01 0.20640620996436D+01
|
|
2 1 3 2 -0.13816746422201D+01 0.21887460890360D+01
|
|
3 1 3 2 -0.12762153596535D+01 0.49171391390154D+01
|
|
1 2 3 2 0.32820635756561D+01 -0.16106982449274D+00
|
|
2 2 3 2 0.34832857149839D+01 -0.11416176745622D+00
|
|
3 2 3 2 0.66770355582374D+01 -0.11974556183632D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 32
|
|
qpt 3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
1 1 1 1 0.73083097059859D+01 -0.94820093255634D-15
|
|
2 1 1 1 0.38993534945063D+01 -0.14096899603248D+00
|
|
3 1 1 1 0.34089243156395D+01 -0.14099294319574D+00
|
|
1 2 1 1 0.29126326347961D+01 -0.12064122623081D+01
|
|
2 2 1 1 0.71813151665887D+00 -0.25485461448582D+01
|
|
3 2 1 1 0.60268978336460D+00 -0.25007494654961D+01
|
|
1 1 2 1 0.38993534945063D+01 0.14096899603248D+00
|
|
2 1 2 1 0.72236805188481D+01 -0.73949032505355D-15
|
|
3 1 2 1 0.35069522890423D+01 -0.10252755867756D+00
|
|
1 2 2 1 0.71813151665887D+00 -0.25485461448582D+01
|
|
2 2 2 1 0.36549267765771D+01 -0.27939229901012D+01
|
|
3 2 2 1 0.69614604914236D+00 -0.25394547731504D+01
|
|
1 1 3 1 0.34089243156395D+01 0.14099294319574D+00
|
|
2 1 3 1 0.35069522890422D+01 0.10252755867756D+00
|
|
1 2 3 1 0.60268978336460D+00 -0.25007494654961D+01
|
|
2 2 3 1 0.69614604914236D+00 -0.25394547731504D+01
|
|
1 1 1 2 0.29126326347961D+01 0.12064122623081D+01
|
|
2 1 1 2 0.71813151665887D+00 0.25485461448582D+01
|
|
3 1 1 2 0.60268978336460D+00 0.25007494654961D+01
|
|
1 2 1 2 0.73083097059859D+01 -0.60022519473659D-16
|
|
2 2 1 2 0.38993534945063D+01 0.14096899603248D+00
|
|
3 2 1 2 0.34089243156395D+01 0.14099294319574D+00
|
|
1 1 2 2 0.71813151665887D+00 0.25485461448582D+01
|
|
2 1 2 2 0.36549267765771D+01 0.27939229901012D+01
|
|
3 1 2 2 0.69614604914236D+00 0.25394547731504D+01
|
|
1 2 2 2 0.38993534945063D+01 -0.14096899603248D+00
|
|
2 2 2 2 0.72236805188480D+01 0.14868809464658D-15
|
|
3 2 2 2 0.35069522890423D+01 0.10252755867756D+00
|
|
1 1 3 2 0.60268978336460D+00 0.25007494654961D+01
|
|
2 1 3 2 0.69614604914236D+00 0.25394547731504D+01
|
|
1 2 3 2 0.34089243156395D+01 -0.14099294319574D+00
|
|
2 2 3 2 0.35069522890423D+01 -0.10252755867756D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.77029529778299D+01 0.00000000000000D+00
|
|
2 1 1 1 0.45599379418137D+01 0.00000000000000D+00
|
|
3 1 1 1 0.31430150234429D+01 0.00000000000000D+00
|
|
1 2 1 1 0.17862836983781D-07 -0.40221821114761D-15
|
|
2 2 1 1 -0.25372878210386D+01 0.95444011851271D-11
|
|
3 2 1 1 -0.25372877734170D+01 0.95444662177930D-11
|
|
1 1 2 1 0.45599379418137D+01 0.00000000000000D+00
|
|
2 1 2 1 0.77029529602085D+01 0.00000000000000D+00
|
|
3 1 2 1 0.31430150234429D+01 0.00000000000000D+00
|
|
1 2 2 1 -0.25372878210386D+01 0.95444011851271D-11
|
|
2 2 2 1 0.30442076363976D-08 -0.40606492799392D-15
|
|
3 2 2 1 -0.25372877734169D+01 0.95444673116644D-11
|
|
1 1 3 1 0.31430150234429D+01 0.00000000000000D+00
|
|
2 1 3 1 0.31430150234429D+01 0.00000000000000D+00
|
|
3 1 3 1 0.62860300463889D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.25372877734170D+01 0.95444662177930D-11
|
|
2 2 3 1 -0.25372877734169D+01 0.95444673117702D-11
|
|
3 2 3 1 -0.50745755464161D+01 0.19088935705634D-10
|
|
1 1 1 2 0.17862836983781D-07 0.40221821114761D-15
|
|
2 1 1 2 -0.25372878210386D+01 0.95505618045112D-11
|
|
3 1 1 2 -0.25372877734170D+01 0.95504967718453D-11
|
|
1 2 1 2 0.77029529778299D+01 0.00000000000000D+00
|
|
2 2 1 2 0.45599379418137D+01 0.00000000000000D+00
|
|
3 2 1 2 0.31430150234429D+01 0.00000000000000D+00
|
|
1 1 2 2 -0.25372878210386D+01 0.95505618045112D-11
|
|
2 1 2 2 0.30442076363976D-08 0.40606492799554D-15
|
|
3 1 2 2 -0.25372877734169D+01 0.95504956781857D-11
|
|
1 2 2 2 0.45599379418137D+01 0.00000000000000D+00
|
|
2 2 2 2 0.77029529602085D+01 0.00000000000000D+00
|
|
3 2 2 2 0.31430150234429D+01 0.00000000000000D+00
|
|
1 1 3 2 -0.25372877734170D+01 0.95504967718453D-11
|
|
2 1 3 2 -0.25372877734169D+01 0.95504956780798D-11
|
|
3 1 3 2 -0.50745755464161D+01 0.19100990274214D-10
|
|
1 2 3 2 0.31430150234429D+01 0.00000000000000D+00
|
|
2 2 3 2 0.31430150234429D+01 0.00000000000000D+00
|
|
3 2 3 2 0.62860300463889D+01 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.73016742377665D+01 0.29852461776863D-15
|
|
2 1 1 1 0.39795479351263D+01 -0.22068986642440D+00
|
|
3 1 1 1 0.31774024161395D+01 -0.12894019828257D-05
|
|
1 2 1 1 -0.12137640556844D+01 0.15770601794777D+01
|
|
2 2 1 1 -0.28275581463075D+01 0.11122523698790D-05
|
|
3 2 1 1 -0.25535536450648D+01 -0.66022547360797D-05
|
|
1 1 2 1 0.39795479351263D+01 0.22068986642440D+00
|
|
2 1 2 1 0.73016742264115D+01 -0.62136382968463D-15
|
|
3 1 2 1 0.31774024161394D+01 0.12894019840162D-05
|
|
1 2 2 1 -0.28275581463075D+01 0.11122523698790D-05
|
|
2 2 2 1 -0.12137640671680D+01 -0.15770601931455D+01
|
|
3 2 2 1 -0.25535536450648D+01 0.65975867527633D-05
|
|
1 1 3 1 0.31774024161394D+01 0.12894019843179D-05
|
|
2 1 3 1 0.31774024161394D+01 -0.12894019831274D-05
|
|
3 1 3 1 0.63548311488832D+01 0.82035594033336D-15
|
|
1 2 3 1 -0.25535536450648D+01 -0.66022547360797D-05
|
|
2 2 3 1 -0.25535536450648D+01 0.65975867527633D-05
|
|
3 2 3 1 -0.51071381169754D+01 0.11440608508288D-04
|
|
1 1 1 2 -0.12137640556844D+01 -0.15770601794777D+01
|
|
2 1 1 2 -0.28275581463075D+01 -0.11122523698790D-05
|
|
3 1 1 2 -0.25535536450648D+01 0.66022547360797D-05
|
|
1 2 1 2 0.73016742377665D+01 0.46989707134546D-16
|
|
2 2 1 2 0.39795479351263D+01 0.22068986642440D+00
|
|
3 2 1 2 0.31774024161395D+01 0.12894019835948D-05
|
|
1 1 2 2 -0.28275581463075D+01 -0.11122523698790D-05
|
|
2 1 2 2 -0.12137640671680D+01 0.15770601931455D+01
|
|
3 1 2 2 -0.25535536450648D+01 -0.65975867527633D-05
|
|
1 2 2 2 0.39795479351263D+01 -0.22068986642440D+00
|
|
2 2 2 2 0.73016742264115D+01 0.41300538138513D-16
|
|
3 2 2 2 0.31774024161394D+01 -0.12894019835749D-05
|
|
1 1 3 2 -0.25535536450648D+01 0.66022547360797D-05
|
|
2 1 3 2 -0.25535536450648D+01 -0.65975867527633D-05
|
|
3 1 3 2 -0.51071381169754D+01 -0.11440608508288D-04
|
|
1 2 3 2 0.31774024161394D+01 -0.12894019835488D-05
|
|
2 2 3 2 0.31774024161394D+01 0.12894019835687D-05
|
|
3 2 3 2 0.63548311488833D+01 0.43199823095748D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.75484593604073D+01 -0.32848500097058D-15
|
|
2 1 1 1 0.42975650209634D+01 -0.17629670873736D+00
|
|
3 1 1 1 0.31569434245333D+01 -0.27776122997028D-05
|
|
1 2 1 1 0.77196321664607D-01 -0.50150624096236D+00
|
|
2 2 1 1 -0.17900937877364D+01 -0.20117547619144D+01
|
|
3 2 1 1 -0.17139779951383D+01 -0.18887980748797D+01
|
|
1 1 2 1 0.42975650209634D+01 0.17629670873737D+00
|
|
2 1 2 1 0.74688277547241D+01 -0.52459664228165D-15
|
|
3 1 2 1 0.31569482291744D+01 -0.13975454377092D-05
|
|
1 2 2 1 -0.17900937877364D+01 -0.20117547619144D+01
|
|
2 2 2 1 0.66319624563767D+00 -0.19807526064069D+01
|
|
3 2 2 1 -0.17139832989357D+01 -0.18887891669328D+01
|
|
1 1 3 1 0.31569434245333D+01 0.27776123001098D-05
|
|
2 1 3 1 0.31569482291744D+01 0.13975454380451D-05
|
|
3 1 3 1 0.63139208381788D+01 0.36659612270181D-15
|
|
1 2 3 1 -0.17139779951383D+01 -0.18887980748797D+01
|
|
2 2 3 1 -0.17139832989357D+01 -0.18887891669328D+01
|
|
3 2 3 1 -0.34279886374519D+01 -0.37776033930630D+01
|
|
1 1 1 2 0.77196321664607D-01 0.50150624096236D+00
|
|
2 1 1 2 -0.17900937877364D+01 0.20117547619144D+01
|
|
3 1 1 2 -0.17139779951383D+01 0.18887980748797D+01
|
|
1 2 1 2 0.75484593604073D+01 -0.61919351653749D-18
|
|
2 2 1 2 0.42975650209634D+01 0.17629670873736D+00
|
|
3 2 1 2 0.31569434245333D+01 0.27776122998878D-05
|
|
1 1 2 2 -0.17900937877364D+01 0.20117547619144D+01
|
|
2 1 2 2 0.66319624563767D+00 0.19807526064069D+01
|
|
3 1 2 2 -0.17139832989357D+01 0.18887891669328D+01
|
|
1 2 2 2 0.42975650209634D+01 -0.17629670873736D+00
|
|
2 2 2 2 0.74688277547241D+01 0.30515081789167D-16
|
|
3 2 2 2 0.31569482291744D+01 0.13975454379341D-05
|
|
1 1 3 2 -0.17139779951383D+01 0.18887980748797D+01
|
|
2 1 3 2 -0.17139832989357D+01 0.18887891669328D+01
|
|
3 1 3 2 -0.34279886374519D+01 0.37776033930630D+01
|
|
1 2 3 2 0.31569434245333D+01 -0.27776122999249D-05
|
|
2 2 3 2 0.31569482291744D+01 -0.13975454378202D-05
|
|
3 2 3 2 0.63139208381789D+01 0.57791454127920D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.75966232114343D+01 -0.72930659057130D-15
|
|
2 1 1 1 0.44270115814622D+01 -0.49654710608816D-15
|
|
3 1 1 1 0.31696116222251D+01 -0.44330818045912D-15
|
|
1 2 1 1 0.23612733205742D+01 -0.97807141604688D+00
|
|
2 2 1 1 0.37191924810748D+00 -0.26270454807597D+01
|
|
3 2 1 1 0.24068504059003D+00 -0.25726864460929D+01
|
|
1 1 2 1 0.44270115814622D+01 -0.49654710608843D-15
|
|
2 1 2 1 0.75966231952986D+01 -0.26398726940718D-15
|
|
3 1 2 1 0.31696116222251D+01 -0.44972044126993D-15
|
|
1 2 2 1 0.37191924810748D+00 -0.26270454807597D+01
|
|
2 2 2 1 0.23612733126646D+01 -0.97807142684340D+00
|
|
3 2 2 1 0.24068504059003D+00 -0.25726864460929D+01
|
|
1 1 3 1 0.31696116222251D+01 -0.44330818045899D-15
|
|
2 1 3 1 0.31696116222251D+01 -0.44972044126973D-15
|
|
3 1 3 1 0.63392232439953D+01 -0.19649710438299D-15
|
|
1 2 3 1 0.24068504059003D+00 -0.25726864460929D+01
|
|
2 2 3 1 0.24068504059003D+00 -0.25726864460929D+01
|
|
3 2 3 1 0.48137008123761D+00 -0.51453728918129D+01
|
|
1 1 1 2 0.23612733205742D+01 0.97807141604688D+00
|
|
2 1 1 2 0.37191924810748D+00 0.26270454807597D+01
|
|
3 1 1 2 0.24068504059003D+00 0.25726864460929D+01
|
|
1 2 1 2 0.75966232114343D+01 -0.61763309663250D-16
|
|
2 2 1 2 0.44270115814622D+01 0.59540201414275D-16
|
|
3 2 1 2 0.31696116222251D+01 0.21905186850871D-17
|
|
1 1 2 2 0.37191924810748D+00 0.26270454807597D+01
|
|
2 1 2 2 0.23612733126646D+01 0.97807142684340D+00
|
|
3 1 2 2 0.24068504059003D+00 0.25726864460929D+01
|
|
1 2 2 2 0.44270115814622D+01 0.59540201414549D-16
|
|
2 2 2 2 0.75966231952985D+01 -0.41400563395909D-16
|
|
3 2 2 2 0.31696116222251D+01 -0.47638696818834D-17
|
|
1 1 3 2 0.24068504059003D+00 0.25726864460929D+01
|
|
2 1 3 2 0.24068504059003D+00 0.25726864460929D+01
|
|
3 1 3 2 0.48137008123761D+00 0.51453728918129D+01
|
|
1 2 3 2 0.31696116222251D+01 0.21905186849573D-17
|
|
2 2 3 2 0.31696116222251D+01 -0.47638696820853D-17
|
|
3 2 3 2 0.63392232439953D+01 0.27065383583525D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.70880609890069D+01 0.96487789670516D-15
|
|
2 1 1 1 0.35247293812545D+01 -0.19254669825586D+00
|
|
3 1 1 1 0.32979024592896D+01 0.58110667456588D-05
|
|
1 2 1 1 -0.34730556410638D+01 0.22870575641662D+01
|
|
2 2 1 1 -0.30120850712462D+01 -0.11933209264706D-04
|
|
3 2 1 1 -0.27630927220660D+01 -0.11803309343964D-04
|
|
1 1 2 1 0.35247293812545D+01 0.19254669825586D+00
|
|
2 1 2 1 0.70880609836584D+01 0.28029423364972D-15
|
|
3 1 2 1 0.32979024592896D+01 -0.58110667447551D-05
|
|
1 2 2 1 -0.30120850712462D+01 -0.11933209264706D-04
|
|
2 2 2 1 -0.34730556443256D+01 -0.22870575798424D+01
|
|
3 2 2 1 -0.27630927220660D+01 0.11796337607841D-04
|
|
1 1 3 1 0.32979024592896D+01 -0.58110667445269D-05
|
|
2 1 3 1 0.32979024592896D+01 0.58110667454306D-05
|
|
3 1 3 1 0.65958214873417D+01 0.35867114408279D-15
|
|
1 2 3 1 -0.27630927220660D+01 -0.11803309343964D-04
|
|
2 2 3 1 -0.27630927220660D+01 0.11796337607841D-04
|
|
3 2 3 1 -0.55262057090785D+01 0.13968019541499D-04
|
|
1 1 1 2 -0.34730556410638D+01 -0.22870575641662D+01
|
|
2 1 1 2 -0.30120850712462D+01 0.11933209264706D-04
|
|
3 1 1 2 -0.27630927220660D+01 0.11803309343964D-04
|
|
1 2 1 2 0.70880609890069D+01 0.74747906477116D-16
|
|
2 2 1 2 0.35247293812545D+01 0.19254669825586D+00
|
|
3 2 1 2 0.32979024592896D+01 -0.58110667451951D-05
|
|
1 1 2 2 -0.30120850712462D+01 0.11933209264706D-04
|
|
2 1 2 2 -0.34730556443256D+01 0.22870575798424D+01
|
|
3 1 2 2 -0.27630927220660D+01 -0.11796337607841D-04
|
|
1 2 2 2 0.35247293812545D+01 -0.19254669825586D+00
|
|
2 2 2 2 0.70880609836584D+01 0.57382266986701D-16
|
|
3 2 2 2 0.32979024592896D+01 0.58110667449852D-05
|
|
1 1 3 2 -0.27630927220660D+01 0.11803309343964D-04
|
|
2 1 3 2 -0.27630927220660D+01 -0.11796337607841D-04
|
|
3 1 3 2 -0.55262057090785D+01 -0.13968019541499D-04
|
|
1 2 3 2 0.32979024592896D+01 0.58110667449906D-05
|
|
2 2 3 2 0.32979024592896D+01 -0.58110667452005D-05
|
|
3 2 3 2 0.65958214873418D+01 -0.41030087099741D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.73007235780851D+01 0.39216627915119D-15
|
|
2 1 1 1 0.36911191761394D+01 -0.21220598417245D+00
|
|
3 1 1 1 0.32399172956376D+01 0.44505636927479D-05
|
|
1 2 1 1 -0.21051389500430D+01 -0.48829673029081D-01
|
|
2 2 1 1 -0.20009081432639D+01 -0.21439246886349D+01
|
|
3 2 1 1 -0.17823287247002D+01 -0.19669422877204D+01
|
|
1 1 2 1 0.36911191761394D+01 0.21220598417245D+00
|
|
2 1 2 1 0.70408757057027D+01 -0.43189365720416D-15
|
|
3 1 2 1 0.32399139700409D+01 -0.10408177689081D-05
|
|
1 2 2 1 -0.20009081432639D+01 -0.21439246886349D+01
|
|
2 2 2 1 -0.54627733356730D+00 -0.40116806026573D+01
|
|
3 2 2 1 -0.17823351691327D+01 -0.19669318366722D+01
|
|
1 1 3 1 0.32399172956376D+01 -0.44505636914827D-05
|
|
2 1 3 1 0.32399139700409D+01 0.10408177693309D-05
|
|
3 1 3 1 0.64798539588547D+01 0.55678426061420D-15
|
|
1 2 3 1 -0.17823287247002D+01 -0.19669422877204D+01
|
|
2 2 3 1 -0.17823351691327D+01 -0.19669318366722D+01
|
|
3 2 3 1 -0.35646884050137D+01 -0.39338733848198D+01
|
|
1 1 1 2 -0.21051389500430D+01 0.48829673029081D-01
|
|
2 1 1 2 -0.20009081432639D+01 0.21439246886349D+01
|
|
3 1 1 2 -0.17823287247002D+01 0.19669422877204D+01
|
|
1 2 1 2 0.73007235780851D+01 0.16838694744146D-15
|
|
2 2 1 2 0.36911191761394D+01 0.21220598417245D+00
|
|
3 2 1 2 0.32399172956376D+01 -0.44505636920949D-05
|
|
1 1 2 2 -0.20009081432639D+01 0.21439246886349D+01
|
|
2 1 2 2 -0.54627733356730D+00 0.40116806026573D+01
|
|
3 1 2 2 -0.17823351691327D+01 0.19669318366722D+01
|
|
1 2 2 2 0.36911191761394D+01 -0.21220598417245D+00
|
|
2 2 2 2 0.70408757057027D+01 0.12195552645906D-16
|
|
3 2 2 2 0.32399139700409D+01 0.10408177691088D-05
|
|
1 1 3 2 -0.17823287247002D+01 0.19669422877204D+01
|
|
2 1 3 2 -0.17823351691327D+01 0.19669318366722D+01
|
|
3 1 3 2 -0.35646884050137D+01 0.39338733848198D+01
|
|
1 2 3 2 0.32399172956376D+01 0.44505636921358D-05
|
|
2 2 3 2 0.32399139700409D+01 -0.10408177691301D-05
|
|
3 2 3 2 0.64798539588547D+01 -0.61975174355160D-19
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.74344582283393D+01 -0.45129066324535D-15
|
|
2 1 1 1 0.38927163475127D+01 -0.21288794949380D+00
|
|
3 1 1 1 0.32165442574073D+01 0.24851342710980D-05
|
|
1 2 1 1 0.49425062216897D+00 -0.73225653963196D+00
|
|
2 2 1 1 0.23138885368853D+00 -0.28837965234417D+01
|
|
3 2 1 1 0.25419928508272D+00 -0.26364292625626D+01
|
|
1 1 2 1 0.38927163475127D+01 0.21288794949380D+00
|
|
2 1 2 1 0.71010016325108D+01 -0.85419911079228D-15
|
|
3 1 2 1 0.32165449927034D+01 -0.13603020931911D-05
|
|
1 2 2 1 0.23138885368853D+00 -0.28837965234417D+01
|
|
2 2 2 1 0.26928160732049D+01 -0.30559180307010D+01
|
|
3 2 2 1 0.25418919396664D+00 -0.26364243487942D+01
|
|
1 1 3 1 0.32165442574073D+01 -0.24851342704694D-05
|
|
2 1 3 1 0.32165449927034D+01 0.13603020935051D-05
|
|
3 1 3 1 0.64331145741112D+01 0.51769176991635D-15
|
|
1 2 3 1 0.25419928508272D+00 -0.26364292625626D+01
|
|
2 2 3 1 0.25418919396664D+00 -0.26364243487942D+01
|
|
3 2 3 1 0.50837632334859D+00 -0.52728706567127D+01
|
|
1 1 1 2 0.49425062216897D+00 0.73225653963196D+00
|
|
2 1 1 2 0.23138885368853D+00 0.28837965234417D+01
|
|
3 1 1 2 0.25419928508272D+00 0.26364292625626D+01
|
|
1 2 1 2 0.74344582283393D+01 -0.14136006255342D-16
|
|
2 2 1 2 0.38927163475127D+01 0.21288794949380D+00
|
|
3 2 1 2 0.32165442574073D+01 -0.24851342708025D-05
|
|
1 1 2 2 0.23138885368853D+00 0.28837965234417D+01
|
|
2 1 2 2 0.26928160732049D+01 0.30559180307010D+01
|
|
3 1 2 2 0.25418919396664D+00 0.26364243487942D+01
|
|
1 2 2 2 0.38927163475127D+01 -0.21288794949380D+00
|
|
2 2 2 2 0.71010016325108D+01 0.33979520666079D-16
|
|
3 2 2 2 0.32165449927034D+01 0.13603020932830D-05
|
|
1 1 3 2 0.25419928508272D+00 0.26364292625626D+01
|
|
2 1 3 2 0.25418919396664D+00 0.26364243487942D+01
|
|
3 1 3 2 0.50837632334859D+00 0.52728706567127D+01
|
|
1 2 3 2 0.32165442574073D+01 0.24851342707649D-05
|
|
2 2 3 2 0.32165449927034D+01 -0.13603020934131D-05
|
|
3 2 3 2 0.64331145741112D+01 -0.96563317258395D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.74611436246502D+01 -0.10020227171736D-14
|
|
2 1 1 1 0.40799653018238D+01 -0.15453960672974D+00
|
|
3 1 1 1 0.32208111036371D+01 -0.12449846037976D-05
|
|
1 2 1 1 0.28141350515675D+01 0.70629637644343D+00
|
|
2 2 1 1 0.23122883056032D+01 -0.17007259600976D+01
|
|
3 2 1 1 0.21420887111189D+01 -0.16260930560708D+01
|
|
1 1 2 1 0.40799653018238D+01 0.15453960672975D+00
|
|
2 1 2 1 0.72554118772693D+01 -0.61989531585267D-15
|
|
3 1 2 1 0.32208110134620D+01 -0.28335423899886D-05
|
|
1 2 2 1 0.23122883056032D+01 -0.17007259600976D+01
|
|
2 2 2 1 0.43294518637768D+01 0.47242415172031D-01
|
|
3 2 2 1 0.21420813682423D+01 -0.16260937729501D+01
|
|
1 1 3 1 0.32208111036370D+01 0.12449846035451D-05
|
|
2 1 3 1 0.32208110134620D+01 0.28335423894045D-05
|
|
3 1 3 1 0.64416486125354D+01 0.12316729766587D-15
|
|
1 2 3 1 0.21420887111189D+01 -0.16260930560708D+01
|
|
2 2 3 1 0.21420813682423D+01 -0.16260937729501D+01
|
|
3 2 3 1 0.42841852930220D+01 -0.32522081155941D+01
|
|
1 1 1 2 0.28141350515675D+01 -0.70629637644343D+00
|
|
2 1 1 2 0.23122883056032D+01 0.17007259600976D+01
|
|
3 1 1 2 0.21420887111189D+01 0.16260930560708D+01
|
|
1 2 1 2 0.74611436246502D+01 0.10993503423629D-15
|
|
2 2 1 2 0.40799653018238D+01 0.15453960672974D+00
|
|
3 2 1 2 0.32208111036371D+01 0.12449846037687D-05
|
|
1 1 2 2 0.23122883056032D+01 0.17007259600976D+01
|
|
2 1 2 2 0.43294518637768D+01 -0.47242415172031D-01
|
|
3 1 2 2 0.21420813682423D+01 0.16260937729501D+01
|
|
1 2 2 2 0.40799653018237D+01 -0.15453960672974D+00
|
|
2 2 2 2 0.72554118772692D+01 0.26828310384745D-15
|
|
3 2 2 2 0.32208110134620D+01 0.28335423896196D-05
|
|
1 1 3 2 0.21420887111189D+01 0.16260930560708D+01
|
|
2 1 3 2 0.21420813682423D+01 0.16260937729501D+01
|
|
3 1 3 2 0.42841852930220D+01 0.32522081155941D+01
|
|
1 2 3 2 0.32208111036370D+01 -0.12449846035741D-05
|
|
2 2 3 2 0.32208110134620D+01 -0.28335423897735D-05
|
|
3 2 3 2 0.64416486125354D+01 0.13879718679333D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.73575949742701D+01 -0.90787591087427D-15
|
|
2 1 1 1 0.40927505273521D+01 -0.59329972429845D-15
|
|
3 1 1 1 0.32648444502535D+01 -0.80726666816800D-15
|
|
1 2 1 1 0.34042504577394D+01 0.34042504754026D+01
|
|
2 2 1 1 0.29282142601573D+01 0.63769594220689D+00
|
|
3 2 1 1 0.27665545120625D+01 0.47603623657077D+00
|
|
1 1 2 1 0.40927505273521D+01 -0.59329972429849D-15
|
|
2 1 2 1 0.73575949614319D+01 -0.43970677596105D-15
|
|
3 1 2 1 0.32648444502534D+01 -0.28656191223293D-15
|
|
1 2 2 1 0.29282142601573D+01 0.63769594220689D+00
|
|
2 2 2 1 0.34042504596551D+01 0.34042504649712D+01
|
|
3 2 2 1 0.27665545120625D+01 0.47603623657077D+00
|
|
1 1 3 1 0.32648444502534D+01 -0.80726666816784D-15
|
|
2 1 3 1 0.32648444502534D+01 -0.28656191223293D-15
|
|
3 1 3 1 0.65296889001449D+01 -0.37192694029615D-15
|
|
1 2 3 1 0.27665545120625D+01 0.47603623657077D+00
|
|
2 2 3 1 0.27665545120625D+01 0.47603623657077D+00
|
|
3 2 3 1 0.55331090238308D+01 0.95207247319557D+00
|
|
1 1 1 2 0.34042504577394D+01 -0.34042504754026D+01
|
|
2 1 1 2 0.29282142601573D+01 -0.63769594220689D+00
|
|
3 1 1 2 0.27665545120625D+01 -0.47603623657077D+00
|
|
1 2 1 2 0.73575949742701D+01 -0.17745920646229D-16
|
|
2 2 1 2 0.40927505273521D+01 -0.36887169378730D-16
|
|
3 2 1 2 0.32648444502535D+01 -0.13907286926503D-15
|
|
1 1 2 2 0.29282142601573D+01 -0.63769594220689D+00
|
|
2 1 2 2 0.34042504596551D+01 -0.34042504649712D+01
|
|
3 1 2 2 0.27665545120625D+01 -0.47603623657077D+00
|
|
1 2 2 2 0.40927505273521D+01 -0.36887169378684D-16
|
|
2 2 2 2 0.73575949614319D+01 0.51413754097520D-17
|
|
3 2 2 2 0.32648444502534D+01 -0.63216211761360D-16
|
|
1 1 3 2 0.27665545120625D+01 -0.47603623657077D+00
|
|
2 1 3 2 0.27665545120625D+01 -0.47603623657077D+00
|
|
3 1 3 2 0.55331090238308D+01 -0.95207247319557D+00
|
|
1 2 3 2 0.32648444502534D+01 -0.13907286926518D-15
|
|
2 2 3 2 0.32648444502534D+01 -0.63216211761360D-16
|
|
3 2 3 2 0.65296889001449D+01 0.18385947677753D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.71007924363767D+01 0.10560223212007D-14
|
|
2 1 1 1 0.34664384082442D+01 -0.81392473320931D-01
|
|
3 1 1 1 0.34899499633752D+01 0.30357534028076D-05
|
|
1 2 1 1 -0.59459570927266D+01 0.14654850035727D+01
|
|
2 2 1 1 -0.33328388555090D+01 -0.13648848260221D-04
|
|
3 2 1 1 -0.32654508064912D+01 -0.76135599937391D-05
|
|
1 1 2 1 0.34664384082442D+01 0.81392473320929D-01
|
|
2 1 2 1 0.71007924295271D+01 0.93077066804059D-15
|
|
3 1 2 1 0.34899499633752D+01 -0.30357534026480D-05
|
|
1 2 2 1 -0.33328388555090D+01 -0.13648848260221D-04
|
|
2 2 2 1 -0.59459570875014D+01 -0.14654850129946D+01
|
|
3 2 2 1 -0.32654508064912D+01 0.76083433991410D-05
|
|
1 1 3 1 0.34899499633752D+01 -0.30357534025320D-05
|
|
2 1 3 1 0.34899499633752D+01 0.30357534026916D-05
|
|
3 1 3 1 0.69799084495587D+01 -0.27263187983748D-15
|
|
1 2 3 1 -0.32654508064912D+01 -0.76135599937391D-05
|
|
2 2 3 1 -0.32654508064912D+01 0.76083433991410D-05
|
|
3 2 3 1 -0.65309167664421D+01 0.91083770433770D-05
|
|
1 1 1 2 -0.59459570927266D+01 -0.14654850035727D+01
|
|
2 1 1 2 -0.33328388555090D+01 0.13648848260221D-04
|
|
3 1 1 2 -0.32654508064912D+01 0.76135599937391D-05
|
|
1 2 1 2 0.71007924363767D+01 0.83276125429309D-16
|
|
2 2 1 2 0.34664384082442D+01 0.81392473320930D-01
|
|
3 2 1 2 0.34899499633752D+01 -0.30357534025888D-05
|
|
1 1 2 2 -0.33328388555090D+01 0.13648848260221D-04
|
|
2 1 2 2 -0.59459570875014D+01 0.14654850129946D+01
|
|
3 1 2 2 -0.32654508064912D+01 -0.76083433991410D-05
|
|
1 2 2 2 0.34664384082442D+01 -0.81392473320930D-01
|
|
2 2 2 2 0.71007924295270D+01 -0.71899501074009D-16
|
|
3 2 2 2 0.34899499633752D+01 0.30357534026881D-05
|
|
1 1 3 2 -0.32654508064912D+01 0.76135599937391D-05
|
|
2 1 3 2 -0.32654508064912D+01 -0.76083433991410D-05
|
|
3 1 3 2 -0.65309167664421D+01 -0.91083770433770D-05
|
|
1 2 3 2 0.34899499633752D+01 0.30357534027508D-05
|
|
2 2 3 2 0.34899499633752D+01 -0.30357534026515D-05
|
|
3 2 3 2 0.69799084495587D+01 0.49238763188113D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.73076335435169D+01 0.11635686616192D-14
|
|
2 1 1 1 0.34392652181789D+01 -0.13918880058650D+00
|
|
3 1 1 1 0.34010755024513D+01 0.61928178376237D-05
|
|
1 2 1 1 -0.43645503473447D+01 -0.11892951160409D+01
|
|
2 2 1 1 -0.22338035887602D+01 -0.22134591541565D+01
|
|
3 2 1 1 -0.21271049355131D+01 -0.21430637405629D+01
|
|
1 1 2 1 0.34392652181789D+01 0.13918880058650D+00
|
|
2 1 2 1 0.69267128845401D+01 0.73759189779176D-15
|
|
3 1 2 1 0.34010706556266D+01 -0.26662326501370D-06
|
|
1 2 2 1 -0.22338035887602D+01 -0.22134591541565D+01
|
|
2 2 2 1 -0.28332743775895D+01 -0.49560776497116D+01
|
|
3 2 2 1 -0.21271099484096D+01 -0.21430577590395D+01
|
|
1 1 3 1 0.34010755024513D+01 -0.61928178367094D-05
|
|
2 1 3 1 0.34010706556265D+01 0.26662326558958D-06
|
|
3 1 3 1 0.68021615514517D+01 -0.72134481182047D-17
|
|
1 2 3 1 -0.21271049355131D+01 -0.21430637405629D+01
|
|
2 2 3 1 -0.21271099484096D+01 -0.21430577590395D+01
|
|
3 2 3 1 -0.42542352689598D+01 -0.42861098118355D+01
|
|
1 1 1 2 -0.43645503473447D+01 0.11892951160409D+01
|
|
2 1 1 2 -0.22338035887602D+01 0.22134591541565D+01
|
|
3 1 1 2 -0.21271049355131D+01 0.21430637405629D+01
|
|
1 2 1 2 0.73076335435169D+01 -0.59411395561905D-16
|
|
2 2 1 2 0.34392652181789D+01 0.13918880058650D+00
|
|
3 2 1 2 0.34010755024513D+01 -0.61928178371554D-05
|
|
1 1 2 2 -0.22338035887602D+01 0.22134591541565D+01
|
|
2 1 2 2 -0.28332743775895D+01 0.49560776497116D+01
|
|
3 1 2 2 -0.21271099484096D+01 0.21430577590395D+01
|
|
1 2 2 2 0.34392652181789D+01 -0.13918880058650D+00
|
|
2 2 2 2 0.69267128845401D+01 -0.41298942921830D-16
|
|
3 2 2 2 0.34010706556266D+01 0.26662326536580D-06
|
|
1 1 3 2 -0.21271049355131D+01 0.21430637405629D+01
|
|
2 1 3 2 -0.21271099484096D+01 0.21430577590395D+01
|
|
3 1 3 2 -0.42542352689598D+01 0.42861098118355D+01
|
|
1 2 3 2 0.34010755024513D+01 0.61928178371777D-05
|
|
2 2 3 2 0.34010706556266D+01 -0.26662326523747D-06
|
|
3 2 3 2 0.68021615514517D+01 -0.89481715941815D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.75353556869424D+01 0.82514665525930D-15
|
|
2 1 1 1 0.34869485444363D+01 -0.16617110418491D+00
|
|
3 1 1 1 0.33518539794348D+01 0.43271579808394D-05
|
|
1 2 1 1 -0.14514689426496D+01 -0.19890855816654D+01
|
|
2 2 1 1 0.95416282710507D-01 -0.30433267585875D+01
|
|
3 2 1 1 0.14256441476632D+00 -0.29025415925294D+01
|
|
1 1 2 1 0.34869485444363D+01 0.16617110418491D+00
|
|
2 1 2 1 0.68747525198288D+01 0.20287812612223D-15
|
|
3 1 2 1 0.33518492245409D+01 -0.14364731888007D-05
|
|
1 2 2 1 0.95416282710507D-01 -0.30433267585875D+01
|
|
2 2 2 1 0.16993174474253D+01 -0.52899582655977D+01
|
|
3 2 2 1 0.14255525503834D+00 -0.29025356461580D+01
|
|
1 1 3 1 0.33518539794348D+01 -0.43271579800447D-05
|
|
2 1 3 1 0.33518492245408D+01 0.14364731896902D-05
|
|
3 1 3 1 0.67037255227093D+01 0.24632159627312D-15
|
|
1 2 3 1 0.14256441476632D+00 -0.29025415925294D+01
|
|
2 2 3 1 0.14255525503834D+00 -0.29025356461580D+01
|
|
3 2 3 1 0.28510916719974D+00 -0.58050843147545D+01
|
|
1 1 1 2 -0.14514689426496D+01 0.19890855816654D+01
|
|
2 1 1 2 0.95416282710507D-01 0.30433267585875D+01
|
|
3 1 1 2 0.14256441476632D+00 0.29025415925294D+01
|
|
1 2 1 2 0.75353556869424D+01 -0.64441230573774D-16
|
|
2 2 1 2 0.34869485444363D+01 0.16617110418491D+00
|
|
3 2 1 2 0.33518539794348D+01 -0.43271579804902D-05
|
|
1 1 2 2 0.95416282710507D-01 0.30433267585875D+01
|
|
2 1 2 2 0.16993174474253D+01 0.52899582655977D+01
|
|
3 1 2 2 0.14255525503834D+00 0.29025356461580D+01
|
|
1 2 2 2 0.34869485444363D+01 -0.16617110418491D+00
|
|
2 2 2 2 0.68747525198288D+01 -0.19600159671793D-16
|
|
3 2 2 2 0.33518492245409D+01 0.14364731892452D-05
|
|
1 1 3 2 0.14256441476632D+00 0.29025415925294D+01
|
|
2 1 3 2 0.14255525503834D+00 0.29025356461580D+01
|
|
3 1 3 2 0.28510916719974D+00 0.58050843147545D+01
|
|
1 2 3 2 0.33518539794348D+01 0.43271579803939D-05
|
|
2 2 3 2 0.33518492245409D+01 -0.14364731892456D-05
|
|
3 2 3 2 0.67037255227093D+01 -0.49964673090175D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.76271570858687D+01 -0.33430266247016D-15
|
|
2 1 1 1 0.35754193547603D+01 -0.17370445934201D+00
|
|
3 1 1 1 0.33327816688737D+01 0.44822945361189D-05
|
|
1 2 1 1 0.11588551650135D+01 -0.56721888053721D+00
|
|
2 2 1 1 0.22876283583278D+01 -0.19783557950457D+01
|
|
3 2 1 1 0.22269163196310D+01 -0.18415502887744D+01
|
|
1 1 2 1 0.35754193547603D+01 0.17370445934201D+00
|
|
2 1 2 1 0.68833661201243D+01 -0.51000839880873D-15
|
|
3 1 2 1 0.33327800798514D+01 -0.31531870248534D-05
|
|
1 2 2 1 0.22876283583278D+01 -0.19783557950457D+01
|
|
2 2 2 1 0.50421829984834D+01 -0.23002834651918D+01
|
|
3 2 2 1 0.22269037492795D+01 -0.18415508624990D+01
|
|
1 1 3 1 0.33327816688737D+01 -0.44822945357062D-05
|
|
2 1 3 1 0.33327800798513D+01 0.31531870250983D-05
|
|
3 1 3 1 0.66655846668395D+01 0.37172510767266D-15
|
|
1 2 3 1 0.22269163196310D+01 -0.18415502887744D+01
|
|
2 2 3 1 0.22269037492795D+01 -0.18415508624990D+01
|
|
3 2 3 1 0.44538219200466D+01 -0.36831073969536D+01
|
|
1 1 1 2 0.11588551650135D+01 0.56721888053721D+00
|
|
2 1 1 2 0.22876283583278D+01 0.19783557950457D+01
|
|
3 1 1 2 0.22269163196310D+01 0.18415502887744D+01
|
|
1 2 1 2 0.76271570858687D+01 -0.47021315401312D-17
|
|
2 2 1 2 0.35754193547603D+01 0.17370445934201D+00
|
|
3 2 1 2 0.33327816688737D+01 -0.44822945359282D-05
|
|
1 1 2 2 0.22876283583278D+01 0.19783557950457D+01
|
|
2 1 2 2 0.50421829984834D+01 0.23002834651918D+01
|
|
3 1 2 2 0.22269037492795D+01 0.18415508624990D+01
|
|
1 2 2 2 0.35754193547603D+01 -0.17370445934201D+00
|
|
2 2 2 2 0.68833661201243D+01 0.45103272322529D-16
|
|
3 2 2 2 0.33327800798514D+01 0.31531870249873D-05
|
|
1 1 3 2 0.22269163196310D+01 0.18415502887744D+01
|
|
2 1 3 2 0.22269037492795D+01 0.18415508624990D+01
|
|
3 1 3 2 0.44538219200466D+01 0.36831073969536D+01
|
|
1 2 3 2 0.33327816688737D+01 0.44822945358969D-05
|
|
2 2 3 2 0.33327800798514D+01 -0.31531870249644D-05
|
|
3 2 3 2 0.66655846668395D+01 0.10908130383643D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.75353343794824D+01 -0.12534618205247D-14
|
|
2 1 1 1 0.36690142638064D+01 -0.15530344596262D+00
|
|
3 1 1 1 0.33335452135383D+01 0.95305804612067D-06
|
|
1 2 1 1 0.20350784449371D+01 0.23036214125652D+01
|
|
2 2 1 1 0.30276662223262D+01 0.35469573128167D+00
|
|
3 2 1 1 0.28996979568502D+01 0.38970766304278D+00
|
|
1 1 2 1 0.36690142638064D+01 0.15530344596262D+00
|
|
2 1 2 1 0.69450059607430D+01 -0.95602107718492D-15
|
|
3 1 2 1 0.33335433120580D+01 -0.38919226545050D-05
|
|
1 2 2 1 0.30276662223262D+01 0.35469573128167D+00
|
|
2 2 2 1 0.52031325656782D+01 0.22452275920705D+01
|
|
3 2 2 1 0.28996919136404D+01 0.38970339276057D+00
|
|
1 1 3 1 0.33335452135383D+01 -0.95305804655300D-06
|
|
2 1 3 1 0.33335433120580D+01 0.38919226541105D-05
|
|
3 1 3 1 0.66671131116564D+01 0.27632124345873D-15
|
|
1 2 3 1 0.28996979568502D+01 0.38970766304278D+00
|
|
2 2 3 1 0.28996919136404D+01 0.38970339276057D+00
|
|
3 2 3 1 0.57994053569291D+01 0.77941504763046D+00
|
|
1 1 1 2 0.20350784449371D+01 -0.23036214125652D+01
|
|
2 1 1 2 0.30276662223262D+01 -0.35469573128167D+00
|
|
3 1 1 2 0.28996979568502D+01 -0.38970766304278D+00
|
|
1 2 1 2 0.75353343794824D+01 0.52784963503313D-16
|
|
2 2 1 2 0.36690142638065D+01 0.15530344596262D+00
|
|
3 2 1 2 0.33335452135383D+01 -0.95305804632943D-06
|
|
1 1 2 2 0.30276662223262D+01 -0.35469573128167D+00
|
|
2 1 2 2 0.52031325656782D+01 -0.22452275920705D+01
|
|
3 1 2 2 0.28996919136404D+01 -0.38970339276057D+00
|
|
1 2 2 2 0.36690142638064D+01 -0.15530344596262D+00
|
|
2 2 2 2 0.69450059607430D+01 0.46649091929670D-16
|
|
3 2 2 2 0.33335433120580D+01 0.38919226541140D-05
|
|
1 1 3 2 0.28996979568502D+01 -0.38970766304278D+00
|
|
2 1 3 2 0.28996919136404D+01 -0.38970339276057D+00
|
|
3 1 3 2 0.57994053569291D+01 -0.77941504763046D+00
|
|
1 2 3 2 0.33335452135383D+01 0.95305804634424D-06
|
|
2 2 3 2 0.33335433120580D+01 -0.38919226545015D-05
|
|
3 2 3 2 0.66671131116565D+01 -0.12345126975609D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.73490105789829D+01 -0.12653084088273D-14
|
|
2 1 1 1 0.37541590764026D+01 -0.89949171136443D-01
|
|
3 1 1 1 0.33675728268705D+01 -0.23145712698115D-05
|
|
1 2 1 1 0.57197419699266D+00 0.50532410898953D+01
|
|
2 2 1 1 0.18385966396785D+01 0.25849726390298D+01
|
|
3 2 1 1 0.17713353345892D+01 0.24756773405985D+01
|
|
1 1 2 1 0.37541590764026D+01 0.89949171136444D-01
|
|
2 1 2 1 0.70845500367794D+01 -0.64825739672549D-15
|
|
3 1 2 1 0.33675693151653D+01 -0.28838197733924D-05
|
|
1 2 2 1 0.18385966396785D+01 0.25849726390298D+01
|
|
2 2 2 1 0.20592050401530D+01 0.56825103593463D+01
|
|
3 2 2 1 0.17713341536252D+01 0.24756751485234D+01
|
|
1 1 3 1 0.33675728268705D+01 0.23145712690083D-05
|
|
2 1 3 1 0.33675693151653D+01 0.28838197728499D-05
|
|
3 1 3 1 0.67351614604194D+01 -0.41921822074687D-16
|
|
1 2 3 1 0.17713353345892D+01 0.24756773405985D+01
|
|
2 2 3 1 0.17713341536252D+01 0.24756751485234D+01
|
|
3 2 3 1 0.35426803309513D+01 0.49513724591944D+01
|
|
1 1 1 2 0.57197419699266D+00 -0.50532410898953D+01
|
|
2 1 1 2 0.18385966396785D+01 -0.25849726390298D+01
|
|
3 1 1 2 0.17713353345892D+01 -0.24756773405985D+01
|
|
1 2 1 2 0.73490105789829D+01 0.68693950816268D-16
|
|
2 2 1 2 0.37541590764026D+01 0.89949171136443D-01
|
|
3 2 1 2 0.33675728268705D+01 0.23145712694543D-05
|
|
1 1 2 2 0.18385966396785D+01 -0.25849726390298D+01
|
|
2 1 2 2 0.20592050401530D+01 -0.56825103593463D+01
|
|
3 1 2 2 0.17713341536252D+01 -0.24756751485234D+01
|
|
1 2 2 2 0.37541590764026D+01 -0.89949171136443D-01
|
|
2 2 2 2 0.70845500367793D+01 0.19611247404696D-16
|
|
3 2 2 2 0.33675693151653D+01 0.28838197730737D-05
|
|
1 1 3 2 0.17713353345892D+01 -0.24756773405985D+01
|
|
2 1 3 2 0.17713341536252D+01 -0.24756751485234D+01
|
|
3 1 3 2 0.35426803309513D+01 -0.49513724591944D+01
|
|
1 2 3 2 0.33675728268705D+01 -0.23145712693654D-05
|
|
2 2 3 2 0.33675693151653D+01 -0.28838197731686D-05
|
|
3 2 3 2 0.67351614604194D+01 0.15324052632548D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.72080428359674D+01 -0.65762390029506D-15
|
|
2 1 1 1 0.37501318737583D+01 -0.37874570257505D-15
|
|
3 1 1 1 0.34579109758675D+01 -0.54810621057100D-15
|
|
1 2 1 1 -0.24908170393918D+01 0.60133642603693D+01
|
|
2 2 1 1 -0.55940765662755D+00 0.33642346977823D+01
|
|
3 2 1 1 -0.50750483242838D+00 0.32389301566239D+01
|
|
1 1 2 1 0.37501318737582D+01 -0.37874570257498D-15
|
|
2 1 2 1 0.72080428260416D+01 -0.11011940508850D-15
|
|
3 1 2 1 0.34579109758675D+01 -0.23586620011298D-15
|
|
1 2 2 1 -0.55940765662755D+00 0.33642346977823D+01
|
|
2 2 2 1 -0.24908170325130D+01 0.60133642544840D+01
|
|
3 2 2 1 -0.50750483242838D+00 0.32389301566239D+01
|
|
1 1 3 1 0.34579109758674D+01 -0.54810621057084D-15
|
|
2 1 3 1 0.34579109758674D+01 -0.23586620011283D-15
|
|
3 1 3 1 0.69158219514550D+01 -0.24840712415443D-15
|
|
1 2 3 1 -0.50750483242838D+00 0.32389301566239D+01
|
|
2 2 3 1 -0.50750483242838D+00 0.32389301566239D+01
|
|
3 2 3 1 -0.10150096648766D+01 0.64778603129933D+01
|
|
1 1 1 2 -0.24908170393918D+01 -0.60133642603693D+01
|
|
2 1 1 2 -0.55940765662755D+00 -0.33642346977823D+01
|
|
3 1 1 2 -0.50750483242838D+00 -0.32389301566239D+01
|
|
1 2 1 2 0.72080428359674D+01 0.12094168307550D-15
|
|
2 2 1 2 0.37501318737583D+01 -0.44702999997409D-16
|
|
3 2 1 2 0.34579109758675D+01 0.85232112529981D-17
|
|
1 1 2 2 -0.55940765662755D+00 -0.33642346977823D+01
|
|
2 1 2 2 -0.24908170325130D+01 -0.60133642544840D+01
|
|
3 1 2 2 -0.50750483242838D+00 -0.32389301566239D+01
|
|
1 2 2 2 0.37501318737582D+01 -0.44702999997472D-16
|
|
2 2 2 2 0.72080428260416D+01 0.14449984602600D-17
|
|
3 2 2 2 0.34579109758675D+01 -0.12954233449861D-16
|
|
1 1 3 2 -0.50750483242838D+00 -0.32389301566239D+01
|
|
2 1 3 2 -0.50750483242838D+00 -0.32389301566239D+01
|
|
3 1 3 2 -0.10150096648766D+01 -0.64778603129933D+01
|
|
1 2 3 2 0.34579109758674D+01 0.85232112528333D-17
|
|
2 2 3 2 0.34579109758675D+01 -0.12954233450013D-16
|
|
3 2 3 2 0.69158219514550D+01 -0.24627795753426D-16
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.78981463616891D+01 0.00000000000000D+00
|
|
2 1 1 1 0.34132392562699D+01 -0.42019464180081D-05
|
|
3 1 1 1 0.34132392372453D+01 -0.42019463659234D-05
|
|
1 2 1 1 0.16178901161878D+01 0.37995239489876D-05
|
|
2 2 1 1 0.30638867002402D+01 -0.35527043433099D-05
|
|
3 2 1 1 0.30638866851805D+01 -0.35527043611876D-05
|
|
1 1 2 1 0.34132392562699D+01 0.42019464180081D-05
|
|
2 1 2 1 0.68264684309525D+01 0.00000000000000D+00
|
|
3 1 2 1 0.34132486731354D+01 -0.28740677083557D-05
|
|
1 2 2 1 0.30638867002402D+01 0.35527043453102D-05
|
|
2 2 2 1 0.61277216263861D+01 0.20410458730869D-09
|
|
3 2 2 1 0.30638863724866D+01 -0.48081227840987D-05
|
|
1 1 3 1 0.34132392372453D+01 0.42019463659234D-05
|
|
2 1 3 1 0.34132486731354D+01 0.28740677083557D-05
|
|
3 1 3 1 0.68264684351662D+01 0.00000000000000D+00
|
|
1 2 3 1 0.30638866851805D+01 0.35527043631654D-05
|
|
2 2 3 1 0.30638863724866D+01 0.48081227861243D-05
|
|
3 2 3 1 0.61277216097314D+01 -0.20410061211483D-09
|
|
1 1 1 2 0.16178901161878D+01 -0.37995239489876D-05
|
|
2 1 1 2 0.30638867002402D+01 -0.35527043453102D-05
|
|
3 1 1 2 0.30638866851805D+01 -0.35527043631654D-05
|
|
1 2 1 2 0.78981463616891D+01 0.00000000000000D+00
|
|
2 2 1 2 0.34132392562699D+01 -0.42019464180081D-05
|
|
3 2 1 2 0.34132392372453D+01 -0.42019463659234D-05
|
|
1 1 2 2 0.30638867002402D+01 0.35527043433099D-05
|
|
2 1 2 2 0.61277216263861D+01 -0.20410458730869D-09
|
|
3 1 2 2 0.30638863724866D+01 -0.48081227861243D-05
|
|
1 2 2 2 0.34132392562699D+01 0.42019464180081D-05
|
|
2 2 2 2 0.68264684309524D+01 0.00000000000000D+00
|
|
3 2 2 2 0.34132486731354D+01 -0.28740677083557D-05
|
|
1 1 3 2 0.30638866851805D+01 0.35527043611876D-05
|
|
2 1 3 2 0.30638863724866D+01 0.48081227840987D-05
|
|
3 1 3 2 0.61277216097314D+01 -0.20410463130204D-09
|
|
1 2 3 2 0.34132392372453D+01 0.42019463659234D-05
|
|
2 2 3 2 0.34132486731354D+01 0.28740677083557D-05
|
|
3 2 3 2 0.68264684351662D+01 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.77908640959670D+01 -0.10315015761272D-14
|
|
2 1 1 1 0.34222794702960D+01 -0.13848601768254D-05
|
|
3 1 1 1 0.34222794517913D+01 -0.13852846624344D-05
|
|
1 2 1 1 0.41065159622977D+00 0.29973079339896D+01
|
|
2 2 1 1 0.20896956885402D+01 0.22761582228793D+01
|
|
3 2 1 1 0.20896956772708D+01 0.22761582139991D+01
|
|
1 1 2 1 0.34222794702960D+01 0.13848601777670D-05
|
|
2 1 2 1 0.68445389718403D+01 -0.75194610981323D-15
|
|
3 1 2 1 0.34222831484178D+01 -0.44827715976254D-05
|
|
1 2 2 1 0.20896956885402D+01 0.22761582228793D+01
|
|
2 2 2 1 0.41793511623326D+01 0.45522849647168D+01
|
|
3 2 2 1 0.20896956059716D+01 0.22761560207094D+01
|
|
1 1 3 1 0.34222794517913D+01 0.13852846622232D-05
|
|
2 1 3 1 0.34222831484178D+01 0.44827715973402D-05
|
|
3 1 3 1 0.68445389764124D+01 0.11846705607570D-15
|
|
1 2 3 1 0.20896956772708D+01 0.22761582139991D+01
|
|
2 2 3 1 0.20896956059716D+01 0.22761560207094D+01
|
|
3 2 3 1 0.41793511464673D+01 0.45522849619046D+01
|
|
1 1 1 2 0.41065159622977D+00 -0.29973079339896D+01
|
|
2 1 1 2 0.20896956885402D+01 -0.22761582228793D+01
|
|
3 1 1 2 0.20896956772708D+01 -0.22761582139991D+01
|
|
1 2 1 2 0.77908640959670D+01 0.80456178591345D-16
|
|
2 2 1 2 0.34222794702960D+01 0.13848601773237D-05
|
|
3 2 1 2 0.34222794517913D+01 0.13852846623357D-05
|
|
1 1 2 2 0.20896956885402D+01 -0.22761582228793D+01
|
|
2 1 2 2 0.41793511623326D+01 -0.45522849647168D+01
|
|
3 1 2 2 0.20896956059716D+01 -0.22761560207094D+01
|
|
1 2 2 2 0.34222794702960D+01 -0.13848601772686D-05
|
|
2 2 2 2 0.68445389718403D+01 -0.25455681912507D-17
|
|
3 2 2 2 0.34222831484178D+01 0.44827715975067D-05
|
|
1 1 3 2 0.20896956772708D+01 -0.22761582139991D+01
|
|
2 1 3 2 0.20896956059716D+01 -0.22761560207094D+01
|
|
3 1 3 2 0.41793511464673D+01 -0.45522849619046D+01
|
|
1 2 3 2 0.34222794517913D+01 -0.13852846623219D-05
|
|
2 2 3 2 0.34222831484178D+01 -0.44827715974589D-05
|
|
3 2 3 2 0.68445389764125D+01 0.91794770891652D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.75329163056383D+01 -0.12572015132198D-14
|
|
2 1 1 1 0.34591814409529D+01 0.78560535486293D-05
|
|
3 1 1 1 0.34591814161175D+01 0.78560535474851D-05
|
|
1 2 1 1 -0.26216129379609D+01 0.43448177549493D+01
|
|
2 2 1 1 -0.25359850898062D+00 0.31942593389474D+01
|
|
3 2 1 1 -0.25359851548965D+00 0.31942593124861D+01
|
|
1 1 2 1 0.34591814409529D+01 -0.78560535469303D-05
|
|
2 1 2 1 0.69183637365798D+01 -0.10173887145772D-14
|
|
3 1 2 1 0.34591895669234D+01 -0.28019649645402D-05
|
|
1 2 2 1 -0.25359850898062D+00 0.31942593389474D+01
|
|
2 2 2 1 -0.50723093566652D+00 0.63884712723699D+01
|
|
3 2 2 1 -0.25361213166110D+00 0.31942511629254D+01
|
|
1 1 3 1 0.34591814161175D+01 -0.78560535480745D-05
|
|
2 1 3 1 0.34591895669234D+01 0.28019649642619D-05
|
|
3 1 3 1 0.69183637420516D+01 0.15726600597933D-15
|
|
1 2 3 1 -0.25359851548965D+00 0.31942593124861D+01
|
|
2 2 3 1 -0.25361213166110D+00 0.31942511629254D+01
|
|
3 2 3 1 -0.50723094869570D+00 0.63884712674740D+01
|
|
1 1 1 2 -0.26216129379609D+01 -0.43448177549493D+01
|
|
2 1 1 2 -0.25359850898062D+00 -0.31942593389474D+01
|
|
3 1 1 2 -0.25359851548965D+00 -0.31942593124861D+01
|
|
1 2 1 2 0.75329163056383D+01 0.49045270808226D-16
|
|
2 2 1 2 0.34591814409529D+01 -0.78560535479282D-05
|
|
3 2 1 2 0.34591814161175D+01 -0.78560535476284D-05
|
|
1 1 2 2 -0.25359850898062D+00 -0.31942593389474D+01
|
|
2 1 2 2 -0.50723093566652D+00 -0.63884712723699D+01
|
|
3 1 2 2 -0.25361213166110D+00 -0.31942511629254D+01
|
|
1 2 2 2 0.34591814409529D+01 0.78560535476314D-05
|
|
2 2 2 2 0.69183637365798D+01 -0.18187886535487D-16
|
|
3 2 2 2 0.34591895669234D+01 0.28019649643729D-05
|
|
1 1 3 2 -0.25359851548965D+00 -0.31942593124861D+01
|
|
2 1 3 2 -0.25361213166110D+00 -0.31942511629254D+01
|
|
3 1 3 2 -0.50723094869570D+00 -0.63884712674740D+01
|
|
1 2 3 2 0.34591814161175D+01 0.78560535479312D-05
|
|
2 2 3 2 0.34591895669234D+01 -0.28019649644291D-05
|
|
3 2 3 2 0.69183637420516D+01 -0.57980007624865D-17
|
|
|
|
2nd derivatives (non-stat.) - # elements : 81
|
|
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.71995875723032D+01 0.00000000000000D+00
|
|
2 1 1 1 0.35997938047517D+01 0.00000000000000D+00
|
|
3 1 1 1 0.35997937852758D+01 0.00000000000000D+00
|
|
1 2 1 1 -0.71996078399292D+01 0.18846494651396D-16
|
|
2 2 1 1 -0.35998039385647D+01 -0.65709037236882D-17
|
|
3 2 1 1 -0.35998039190888D+01 0.16329071653505D-16
|
|
1 4 1 1 -0.25684412267551D+02 0.00000000000000D+00
|
|
2 4 1 1 -0.20003812426673D-16 0.00000000000000D+00
|
|
3 4 1 1 -0.12603285566512D-16 0.00000000000000D+00
|
|
1 1 2 1 0.35997938047517D+01 0.00000000000000D+00
|
|
2 1 2 1 0.71995875634773D+01 0.00000000000000D+00
|
|
3 1 2 1 0.35997937852758D+01 0.00000000000000D+00
|
|
1 2 2 1 -0.35998039385647D+01 -0.65709037236882D-17
|
|
2 2 2 1 -0.71996078311033D+01 0.26956147499670D-17
|
|
3 2 2 1 -0.35998039190888D+01 0.22355425137202D-17
|
|
1 4 2 1 -0.74014868308344D-16 0.00000000000000D+00
|
|
2 4 2 1 -0.25684412267551D+02 0.00000000000000D+00
|
|
3 4 2 1 -0.59013350123839D-16 0.00000000000000D+00
|
|
1 1 3 1 0.35997937852758D+01 0.00000000000000D+00
|
|
2 1 3 1 0.35997937852758D+01 0.00000000000000D+00
|
|
3 1 3 1 0.71995875703028D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.35998039190888D+01 0.16329071653505D-16
|
|
2 2 3 1 -0.35998039190888D+01 0.22355425137202D-17
|
|
3 2 3 1 -0.71996078379288D+01 -0.10018826078913D-16
|
|
1 4 3 1 0.00000000000000D+00 0.00000000000000D+00
|
|
2 4 3 1 0.14989942067559D-16 0.00000000000000D+00
|
|
3 4 3 1 -0.25684412267551D+02 0.00000000000000D+00
|
|
1 1 1 2 -0.71996078399292D+01 -0.18846494651396D-16
|
|
2 1 1 2 -0.35998039385647D+01 0.65709037236882D-17
|
|
3 1 1 2 -0.35998039190888D+01 -0.16329071653505D-16
|
|
1 2 1 2 0.71995875723032D+01 0.00000000000000D+00
|
|
2 2 1 2 0.35997938047517D+01 0.00000000000000D+00
|
|
3 2 1 2 0.35997937852758D+01 0.00000000000000D+00
|
|
1 4 1 2 -0.25684412267551D+02 0.00000000000000D+00
|
|
2 4 1 2 -0.20003812426673D-16 0.00000000000000D+00
|
|
3 4 1 2 -0.12603285566512D-16 0.00000000000000D+00
|
|
1 1 2 2 -0.35998039385647D+01 0.65709037236882D-17
|
|
2 1 2 2 -0.71996078311033D+01 -0.26956147499670D-17
|
|
3 1 2 2 -0.35998039190888D+01 -0.22355425137202D-17
|
|
1 2 2 2 0.35997938047517D+01 0.00000000000000D+00
|
|
2 2 2 2 0.71995875634773D+01 0.00000000000000D+00
|
|
3 2 2 2 0.35997937852758D+01 0.00000000000000D+00
|
|
1 4 2 2 -0.74014868308344D-16 0.00000000000000D+00
|
|
2 4 2 2 -0.25684412267551D+02 0.00000000000000D+00
|
|
3 4 2 2 -0.59013350123839D-16 0.00000000000000D+00
|
|
1 1 3 2 -0.35998039190888D+01 -0.16329071653505D-16
|
|
2 1 3 2 -0.35998039190888D+01 -0.22355425137202D-17
|
|
3 1 3 2 -0.71996078379288D+01 0.10018826078913D-16
|
|
1 2 3 2 0.35997937852758D+01 0.00000000000000D+00
|
|
2 2 3 2 0.35997937852758D+01 0.00000000000000D+00
|
|
3 2 3 2 0.71995875703028D+01 0.00000000000000D+00
|
|
1 4 3 2 0.00000000000000D+00 0.00000000000000D+00
|
|
2 4 3 2 0.14989942067559D-16 0.00000000000000D+00
|
|
3 4 3 2 -0.25684412267551D+02 0.00000000000000D+00
|
|
1 1 1 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
2 1 1 4 0.74014868308344D-16 0.00000000000000D+00
|
|
3 1 1 4 0.00000000000000D+00 0.00000000000000D+00
|
|
1 2 1 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
2 2 1 4 0.00000000000000D+00 0.00000000000000D+00
|
|
3 2 1 4 0.74014868308344D-16 0.00000000000000D+00
|
|
1 4 1 4 -0.32014654576567D+03 0.00000000000000D+00
|
|
2 4 1 4 0.10671551525522D+03 0.00000000000000D+00
|
|
3 4 1 4 0.10671551525522D+03 0.00000000000000D+00
|
|
1 1 2 4 0.23305264510755D-16 0.00000000000000D+00
|
|
2 1 2 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
3 1 2 4 0.14989942067559D-16 0.00000000000000D+00
|
|
1 2 2 4 -0.50709603797589D-16 0.00000000000000D+00
|
|
2 2 2 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
3 2 2 4 0.89004810375903D-16 0.00000000000000D+00
|
|
1 4 2 4 0.10671551525522D+03 0.00000000000000D+00
|
|
2 4 2 4 -0.32014654576567D+03 0.00000000000000D+00
|
|
3 4 2 4 0.10671551525522D+03 0.00000000000000D+00
|
|
1 1 3 4 -0.28307558752923D-16 0.00000000000000D+00
|
|
2 1 3 4 -0.31408546372821D-16 0.00000000000000D+00
|
|
3 1 3 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
1 2 3 4 -0.28307558752923D-16 0.00000000000000D+00
|
|
2 2 3 4 -0.31408546372821D-16 0.00000000000000D+00
|
|
3 2 3 4 -0.25684412267551D+02 0.00000000000000D+00
|
|
1 4 3 4 0.10671551525522D+03 0.00000000000000D+00
|
|
2 4 3 4 0.10671551525522D+03 0.00000000000000D+00
|
|
3 4 3 4 -0.32014654576567D+03 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 1.25000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
1 1 1 1 0.72936022321666D+01 -0.93836897279423D-15
|
|
2 1 1 1 0.35387637977663D+01 0.49455074220637D-05
|
|
3 1 1 1 0.35387637814346D+01 0.49449806159526D-05
|
|
1 2 1 1 -0.58255067520648D+01 0.31425791017418D+01
|
|
2 2 1 1 -0.26070749875031D+01 0.22404587949604D+01
|
|
3 2 1 1 -0.26070749810683D+01 0.22404587863266D+01
|
|
1 1 2 1 0.35387637977663D+01 -0.49455074212025D-05
|
|
2 1 2 1 0.70774954024723D+01 -0.72069803911620D-15
|
|
3 1 2 1 0.35387568693176D+01 -0.65842513122119D-06
|
|
1 2 2 1 -0.26070749875031D+01 0.22404587949604D+01
|
|
2 2 2 1 -0.52141287846305D+01 0.44809176332438D+01
|
|
3 2 2 1 -0.26070711729467D+01 0.22404665631263D+01
|
|
1 1 3 1 0.35387637814346D+01 -0.49449806164090D-05
|
|
2 1 3 1 0.35387568693176D+01 0.65842513095337D-06
|
|
3 1 3 1 0.70774954088916D+01 0.10650250587303D-15
|
|
1 2 3 1 -0.26070749810683D+01 0.22404587863266D+01
|
|
2 2 3 1 -0.26070711729467D+01 0.22404665631263D+01
|
|
3 2 3 1 -0.52141287935346D+01 0.44809176291432D+01
|
|
1 1 1 2 -0.58255067520648D+01 -0.31425791017418D+01
|
|
2 1 1 2 -0.26070749875031D+01 -0.22404587949604D+01
|
|
3 1 1 2 -0.26070749810683D+01 -0.22404587863266D+01
|
|
1 2 1 2 0.72936022321666D+01 0.62132798592844D-16
|
|
2 2 1 2 0.35387637977663D+01 -0.49455074216455D-05
|
|
3 2 1 2 0.35387637814346D+01 -0.49449806162412D-05
|
|
1 1 2 2 -0.26070749875031D+01 -0.22404587949604D+01
|
|
2 1 2 2 -0.52141287846305D+01 -0.44809176332438D+01
|
|
3 1 2 2 -0.26070711729467D+01 -0.22404665631263D+01
|
|
1 2 2 2 0.35387637977663D+01 0.49455074216207D-05
|
|
2 2 2 2 0.70774954024723D+01 0.94692689015159D-18
|
|
3 2 2 2 0.35387568693176D+01 0.65842513108521D-06
|
|
1 1 3 2 -0.26070749810683D+01 -0.22404587863266D+01
|
|
2 1 3 2 -0.26070711729467D+01 -0.22404665631263D+01
|
|
3 1 3 2 -0.52141287935346D+01 -0.44809176291432D+01
|
|
1 2 3 2 0.35387637814346D+01 0.49449806161204D-05
|
|
2 2 3 2 0.35387568693176D+01 -0.65842513108935D-06
|
|
3 2 3 2 0.70774954088916D+01 -0.27850731135067D-17
|
|
|
|
List of bloks and their characteristics
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 5.00000000E-01 2.50000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 34
|
|
qpt -3.75000000E-01 5.00000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 32
|
|
qpt 5.00000000E-01 3.75000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 32
|
|
qpt 3.75000000E-01 2.50000000E-01 1.25000000E-01 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 5.00000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 3.75000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 2.50000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt -3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 1.25000000E-01 1.25000000E-01 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 5.00000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 3.75000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 2.50000000E-01 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 81
|
|
qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
|
|
|
|
2nd derivatives (non-stat.) - # elements : 36
|
|
qpt 1.25000000E-01 0.00000000E+00 0.00000000E+00 1.0
|