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2892 lines
222 KiB
2892 lines
222 KiB
Br pb rel pcec
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ATM3.3.2 6-OCT-16 Troullier-Martins
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4s 2.00r r= 1.93/4p 5.00r r= 2.13/4d 0.00r r= 1.93/4f 0.00r r= 2.48/
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3
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0.469953456224E-13 0.296464185363E-13 0.185944967347E-13 0.115947285924E-13
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0.718736127647E-14 0.442873255652E-14 0.271242961783E-14 0.165110268085E-14
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0.998834156470E-15 0.600458608061E-15 0.358681856000E-15 0.212881637088E-15
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0.125526328204E-15 0.735299381068E-16 0.427849263941E-16 0.247274078056E-16
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0.141935534442E-16 0.809080032406E-17 0.457975455962E-17 0.257398129991E-17
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0.143629163230E-17 0.795637108196E-18 0.437505161385E-18 0.238785068344E-18
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0.129344079353E-18 0.695281047069E-19 0.370857610935E-19 0.196265947739E-19
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0.103045994825E-19 0.536688858948E-20 0.277252644776E-20 0.142051643980E-20
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0.721754519039E-21 0.363630333438E-21 0.181640266873E-21 0.899495723712E-22
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0.441543955000E-22 0.214827060008E-22 0.103584783577E-22 0.494932541590E-23
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0.234309365179E-23 0.109894709514E-23 0.510571667679E-24 0.234951427649E-24
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0.107075212774E-24 0.483210850686E-25 0.215907653553E-25 0.955056637115E-26
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0.418182052558E-26 0.181226477817E-26 0.777216555855E-27 0.329814645139E-27
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0.138467695048E-27 0.575068866838E-28 0.236224927086E-28 0.959638429115E-29
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0.385483176635E-29 0.153094072609E-29 0.601042299307E-30 0.233229391456E-30
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0.894396863730E-31 0.338908501919E-31 0.126874872954E-31 0.469185713651E-32
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0.171365846576E-32 0.618084293239E-33 0.220114162486E-33 0.773850891609E-34
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0.268538815944E-34 0.919661646234E-35 0.310778041717E-35 0.103610346720E-35
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0.340733682838E-36 0.110513166154E-36 0.353449321737E-37 0.111450216521E-37
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0.346418491050E-38 0.106123766158E-38 0.320361297106E-39 0.952811324667E-40
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0.279149113853E-40 0.805471916543E-41 0.228860598590E-41 0.640205138811E-42
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0.176284922236E-42 0.477725947730E-43 0.127388228262E-43 0.334183597854E-44
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0.862311772458E-45 0.218818622569E-45 0.545961369220E-46 0.133910179253E-46
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0.322816102764E-47 0.764719420364E-48 0.177979238391E-48 0.406884749185E-49
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0.913529305417E-50 0.201389286443E-50 0.435839441504E-51 0.925776541747E-52
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0.192969302271E-52 0.394625743047E-53 0.791608180648E-54 0.155731052335E-54
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0.300394906246E-55 0.568034328652E-56 0.105277011202E-56 0.191197310863E-57
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0.340197960325E-58 0.592919729609E-59 0.101201547895E-59 0.169129169311E-60
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0.276696303157E-61 0.443052746188E-62 0.694206925954E-63 0.106418856808E-63
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0.159573087718E-64 0.234006559530E-65 0.335536949701E-66 0.470342255058E-67
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0.644417304906E-68 0.862817776316E-69 0.112872928059E-69 0.144244910126E-70
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0.180041869861E-71 0.219448370508E-72 0.261157096411E-73 0.303394763136E-74
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0.344016038545E-75 0.380664829785E-76 0.410989706175E-77 0.432888052017E-78
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0.444744709492E-79 0.445627932869E-80 0.435409821150E-81 0.414789715665E-82
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0.385215247093E-83 0.348713362864E-84 0.307658870513E-85 0.264517486093E-86
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0.221602233075E-87 0.180876356378E-88 0.143824543021E-89 0.111400184615E-90
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0.840429582422E-92 0.617508267716E-93 0.441851706617E-94 0.307873096255E-95
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0.208881713344E-96 0.137986826107E-97 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000 0.00000000000
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0.00000000000 0.00000000000 0.00000000000
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Valence charge follows
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|
0.371539495807E-12 0.150491033345E-11 0.342886271636E-11 0.617299370977E-11
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0.976777017655E-11 0.142445523125E-10 0.196356177964E-10 0.259741865711E-10
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0.332944462711E-10 0.416315783137E-10 0.510217846710E-10 0.615023153396E-10
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0.731114965263E-10 0.858887595686E-10 0.998746706075E-10 0.115110961034E-09
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0.316008759915E-09 0.346323843559E-09 0.378434801323E-09 0.412400032214E-09
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0.448279576337E-09 0.486135158481E-09 0.526030232845E-09 0.568030028914E-09
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0.612201598526E-09 0.658613864157E-09 0.707337668455E-09 0.758445825056E-09
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0.812013170713E-09 0.868116618776E-09 0.926835214046E-09 0.988250189058E-09
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0.133877444097E-08 0.141820355589E-08 0.150096397696E-08 0.158715664707E-08
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0.167688527342E-08 0.177025640013E-08 0.186737948273E-08 0.196836696454E-08
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0.207333435504E-08 0.218240031028E-08 0.229568671529E-08 0.241331876867E-08
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