mirror of https://github.com/abinit/abipy.git
add core density file for testing. From pseudo-dojo PBE v0.4
This commit is contained in:
guido
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600 0.0 Si 14 4.0 # nr, dummy, symbol, Z, Z_val
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0.00000000000000E+00 2.29563022534430E+04 -6.78795840036687E+05 2.04107488126996E+07
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1.00000000000000E-02 1.71014554017640E+04 -4.98311480124755E+05 1.56861231696867E+07
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2.00000000000000E-02 1.28363618392200E+04 -3.65073376642952E+05 1.09614975266739E+07
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3.00000000000000E-02 9.67495914158910E+03 -2.71653768576391E+05 7.72242408663830E+06
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4.00000000000000E-02 7.31179187052770E+03 -2.03429055655752E+05 5.92251849748937E+06
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5.00000000000000E-02 5.53985192117030E+03 -1.53203398626603E+05 4.12261290834045E+06
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6.00000000000000E-02 4.20910261318680E+03 -1.15850077664466E+05 3.34805128408708E+06
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7.00000000000000E-02 3.20875295348490E+03 -8.62423729448617E+04 2.57348965983371E+06
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8.00000000000000E-02 2.45634849875380E+03 -6.43802844677915E+04 1.79892803558034E+06
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9.00000000000000E-02 1.89025885425240E+03 -4.85462256214990E+04 1.36788373367815E+06
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1.00000000000000E-01 1.46428812168040E+03 -3.70226097942284E+04 9.36839431775967E+05
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1.10000000000000E-01 1.14373878423080E+03 -2.83909407894409E+04 7.89494369181538E+05
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1.20000000000000E-01 9.02510031780020E+02 -2.12327224105976E+04 6.42149306587109E+05
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1.30000000000000E-01 7.20946050665450E+02 -1.55479546576987E+04 4.94804243992680E+05
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1.40000000000000E-01 5.84233593456330E+02 -1.13366375307440E+04 3.47459181398251E+05
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1.50000000000000E-01 4.81204495759280E+02 -8.59877102973365E+03 2.00114118803823E+05
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1.60000000000000E-01 4.03438190151320E+02 -6.75536388577950E+03 1.68567309987006E+05
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1.70000000000000E-01 3.44587349238630E+02 -5.22742482999352E+03 1.37020501170190E+05
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1.80000000000000E-01 2.99870068186250E+02 -4.01495386237570E+03 1.05473692353374E+05
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1.90000000000000E-01 2.65686792722710E+02 -3.11795098292605E+03 7.39268835365572E+04
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2.00000000000000E-01 2.39331055398590E+02 -2.43822503940319E+03 6.20183051680149E+04
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2.10000000000000E-01 2.18771011638780E+02 -1.87758487956575E+03 5.01097267994727E+04
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2.20000000000000E-01 2.02484498480520E+02 -1.43603050341374E+03 3.82011484309304E+04
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2.30000000000000E-01 1.89334506946230E+02 -1.11356191094714E+03 2.62925700623881E+04
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2.40000000000000E-01 1.78475079720730E+02 -9.10179102165973E+02 1.43839916938459E+04
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2.50000000000000E-01 1.69280054332770E+02 -7.81142054344245E+02 1.14234178704998E+04
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2.60000000000000E-01 1.61288963287010E+02 -6.81710744755977E+02 8.46284404715375E+03
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2.70000000000000E-01 1.54165880886930E+02 -6.11885173401170E+02 5.50227022380769E+03
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2.80000000000000E-01 1.47668115674900E+02 -5.71665340279823E+02 2.54169640046163E+03
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2.90000000000000E-01 1.41622435116710E+02 -5.61051245391937E+02 -4.18877422884405E+02
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3.00000000000000E-01 1.35907060385160E+02 -5.63858278375384E+02 -1.42529173804960E+02
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3.10000000000000E-01 1.30438071519250E+02 -5.63901828868036E+02 1.33819075274484E+02
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3.20000000000000E-01 1.25159172832970E+02 -5.61181896869894E+02 4.10167324353929E+02
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3.30000000000000E-01 1.20034011842130E+02 -5.55698482380958E+02 6.86515573433374E+02
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3.40000000000000E-01 1.15040435422940E+02 -5.47451585401227E+02 9.62863822512818E+02
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3.50000000000000E-01 1.10166214040850E+02 -5.36441205930701E+02 1.23921207159226E+03
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3.60000000000000E-01 1.05405877370840E+02 -5.22667343969381E+02 1.51556032067171E+03
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3.70000000000000E-01 1.00758390131710E+02 -5.06129999517267E+02 1.79190856975115E+03
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3.80000000000000E-01 9.62254618511000E+01 -4.86829172574358E+02 2.06825681883060E+03
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3.90000000000000E-01 9.18103335542870E+01 -4.66399407046536E+02 2.01769628673383E+03
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4.00000000000000E-01 8.75169218614880E+01 -4.46475246839682E+02 1.96713575463707E+03
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4.10000000000000E-01 8.33492295574900E+01 -4.27056691953795E+02 1.91657522254030E+03
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4.20000000000000E-01 7.93109535173360E+01 -4.08143742388876E+02 1.86601469044354E+03
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4.30000000000000E-01 7.54052375518670E+01 -3.89736398144924E+02 1.81545415834678E+03
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4.40000000000000E-01 7.16345304934420E+01 -3.71834659221940E+02 1.76489362625001E+03
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4.50000000000000E-01 6.80005195979040E+01 -3.54438525619924E+02 1.71433309415325E+03
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4.60000000000000E-01 6.45041167952790E+01 -3.37547997338875E+02 1.66377256205648E+03
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4.70000000000000E-01 6.11454810142130E+01 -3.21163074378794E+02 1.61321202995972E+03
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4.80000000000000E-01 5.79240641438730E+01 -3.05283756739681E+02 1.56265149786295E+03
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4.90000000000000E-01 5.48386714965790E+01 -2.89910044421535E+02 1.51209096576619E+03
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5.00000000000000E-01 5.18875301362740E+01 -2.75041937424357E+02 1.46153043366943E+03
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5.10000000000000E-01 4.90683603281660E+01 -2.60679435748147E+02 1.41096990157266E+03
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5.20000000000000E-01 4.63784467867080E+01 -2.46822539392904E+02 1.36040936947590E+03
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5.30000000000000E-01 4.38147074620550E+01 -2.33471248358629E+02 1.30984883737913E+03
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5.40000000000000E-01 4.13737583940980E+01 -2.20625562645321E+02 1.25928830528237E+03
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5.50000000000000E-01 3.90519737444670E+01 -2.08285482252981E+02 1.20872777318560E+03
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5.60000000000000E-01 3.68455405384140E+01 -1.96451007181609E+02 1.15816724108884E+03
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5.70000000000000E-01 3.47505079510730E+01 -1.85122137431205E+02 1.10760670899208E+03
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5.80000000000000E-01 3.27628311843460E+01 -1.74298873001768E+02 1.05704617689531E+03
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5.90000000000000E-01 3.08784101246990E+01 -1.63981213893298E+02 1.00648564479855E+03
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6.00000000000000E-01 2.90931230660420E+01 -1.54169160105797E+02 9.55925112701784E+02
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6.10000000000000E-01 2.74028558384230E+01 -1.44862711639263E+02 9.05364580605020E+02
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6.20000000000000E-01 2.58035267128540E+01 -1.36061868493696E+02 8.54804048508256E+02
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6.30000000000000E-01 2.42911074627620E+01 -1.27766630669097E+02 8.04243516411492E+02
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6.40000000000000E-01 2.28616409590850E+01 -1.19976998165466E+02 7.53682984314728E+02
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6.50000000000000E-01 2.15112556632200E+01 -1.12692970982803E+02 7.03122452217963E+02
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6.60000000000000E-01 2.02361773631060E+01 -1.05914549121107E+02 6.52561920121199E+02
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6.70000000000000E-01 1.90327384752510E+01 -9.96417325803789E+01 6.02001388024435E+02
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6.80000000000000E-01 1.78973852108130E+01 -9.38745213606184E+01 5.51440855927671E+02
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6.90000000000000E-01 1.68266828786910E+01 -8.86129154618256E+01 5.00880323830907E+02
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7.00000000000000E-01 1.58173195732790E+01 -8.38569148840003E+01 4.50319791734143E+02
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7.10000000000000E-01 1.48661084711070E+01 -7.96065196271427E+01 3.99759259637379E+02
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7.20000000000000E-01 1.39699889361940E+01 -7.58617296912527E+01 3.49198727540615E+02
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7.30000000000000E-01 1.31260266124360E+01 -7.26225450763304E+01 2.98638195443850E+02
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7.40000000000000E-01 1.23314126630980E+01 -6.98889657823757E+01 2.48077663347086E+02
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7.50000000000000E-01 1.15834622970120E+01 -6.76609918093887E+01 1.97517131250322E+02
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7.60000000000000E-01 1.08796127041740E+01 -6.56994839815199E+01 1.94784434323424E+02
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7.70000000000000E-01 1.02174205100180E+01 -6.37653031229202E+01 1.92051737396527E+02
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7.80000000000000E-01 9.59455884205080E+00 -6.18584492335894E+01 1.89319040469629E+02
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7.90000000000000E-01 9.00881409101240E+00 -5.99789223135276E+01 1.86586343542732E+02
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8.00000000000000E-01 8.45808243753390E+00 -5.81267223627348E+01 1.83853646615834E+02
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8.10000000000000E-01 7.94036620543740E+00 -5.63018493812109E+01 1.81120949688937E+02
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8.20000000000000E-01 7.45377009413780E+00 -5.45043033689561E+01 1.78388252762039E+02
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8.30000000000000E-01 6.99649733491670E+00 -5.27340843259702E+01 1.75655555835141E+02
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8.40000000000000E-01 6.56684580907430E+00 -5.09911922522532E+01 1.72922858908244E+02
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8.50000000000000E-01 6.16320416003500E+00 -4.92756271478053E+01 1.70190161981346E+02
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8.60000000000000E-01 5.78404792629080E+00 -4.75873890126263E+01 1.67457465054449E+02
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8.70000000000000E-01 5.42793571754170E+00 -4.59264778467163E+01 1.64724768127551E+02
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8.80000000000000E-01 5.09350545245770E+00 -4.42928936500753E+01 1.61992071200654E+02
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8.90000000000000E-01 4.77947067307790E+00 -4.26866364227032E+01 1.59259374273756E+02
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9.00000000000000E-01 4.48461694791110E+00 -4.11077061646001E+01 1.56526677346858E+02
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9.10000000000000E-01 4.20779837326250E+00 -3.95561028757660E+01 1.53793980419961E+02
|
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9.20000000000000E-01 3.94793418012220E+00 -3.80318265562009E+01 1.51061283493063E+02
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9.30000000000000E-01 3.70400545207800E+00 -3.65348772059048E+01 1.48328586566166E+02
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9.40000000000000E-01 3.47505195810880E+00 -3.50652548248776E+01 1.45595889639268E+02
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9.50000000000000E-01 3.26016910274350E+00 -3.36229594131194E+01 1.42863192712371E+02
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9.60000000000000E-01 3.05850499490870E+00 -3.22079909706302E+01 1.40130495785473E+02
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9.70000000000000E-01 2.86925763579610E+00 -3.08203494974100E+01 1.37397798858576E+02
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9.80000000000000E-01 2.69167222523860E+00 -2.94600349934587E+01 1.34665101931678E+02
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9.90000000000000E-01 2.52503858539920E+00 -2.81270474587764E+01 1.31932405004780E+02
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1.00000000000000E+00 2.36868869996450E+00 -2.68213868933631E+01 1.29199708077883E+02
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1.01000000000000E+00 2.22199436656220E+00 -2.55430532972187E+01 1.26467011150985E+02
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1.02000000000000E+00 2.08436495972290E+00 -2.42920466703434E+01 1.23734314224088E+02
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1.03000000000000E+00 1.95524530138400E+00 -2.30683670127370E+01 1.21001617297190E+02
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1.04000000000000E+00 1.83411363568740E+00 -2.18720143243996E+01 1.18268920370293E+02
|
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1.05000000000000E+00 1.72047970464420E+00 -2.07029886053311E+01 1.15536223443395E+02
|
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1.06000000000000E+00 1.61388292111270E+00 -1.95612898555317E+01 1.12803526516498E+02
|
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1.07000000000000E+00 1.51389063546930E+00 -1.84469180750012E+01 1.10070829589600E+02
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1.08000000000000E+00 1.42009649233860E+00 -1.73598732637397E+01 1.07338132662702E+02
|
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1.09000000000000E+00 1.33211887378240E+00 -1.63001554217471E+01 1.04605435735805E+02
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1.10000000000000E+00 1.24959942541890E+00 -1.52677645490236E+01 1.01872738808907E+02
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1.11000000000000E+00 1.17220166204730E+00 -1.42627006455690E+01 9.91400418820097E+01
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1.12000000000000E+00 1.09960964950590E+00 -1.32849637113834E+01 9.64073449551122E+01
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1.13000000000000E+00 1.03152675964300E+00 -1.23345537464667E+01 9.36746480282146E+01
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1.14000000000000E+00 9.67674495447570E-01 -1.14114707508191E+01 9.09419511013171E+01
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1.15000000000000E+00 9.07791383530550E-01 -1.05157147244404E+01 8.82092541744195E+01
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1.16000000000000E+00 8.51631931327990E-01 -9.64728566733070E+00 8.54765572475220E+01
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1.17000000000000E+00 7.98965646472860E-01 -8.80618357948996E+00 8.27438603206244E+01
|
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1.18000000000000E+00 7.49576115849950E-01 -7.99240846091820E+00 8.00111633937268E+01
|
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1.19000000000000E+00 7.03260141891740E-01 -7.20596031161542E+00 7.72784664668293E+01
|
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1.20000000000000E+00 6.59826933610410E-01 -6.44683913158162E+00 7.45457695399317E+01
|
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1.21000000000000E+00 6.19097349751410E-01 -5.71504492081679E+00 7.18130726130342E+01
|
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1.22000000000000E+00 5.80903191419890E-01 -5.01057767932093E+00 6.90803756861366E+01
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1.23000000000000E+00 5.45086541281050E-01 -4.33343740709405E+00 6.63476787592390E+01
|
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1.24000000000000E+00 5.11499146362270E-01 -3.68362410413615E+00 6.36149818323415E+01
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1.25000000000000E+00 4.80001841408680E-01 -3.06113777044722E+00 6.08822849054439E+01
|
||||
1.26000000000000E+00 4.50464009592950E-01 -2.46597840602727E+00 5.81495879785463E+01
|
||||
1.27000000000000E+00 4.22763077523810E-01 -1.89814601087630E+00 5.54168910516488E+01
|
||||
1.28000000000000E+00 3.96784041518990E-01 -1.35764058499430E+00 5.26841941247512E+01
|
||||
1.29000000000000E+00 3.72419022224720E-01 -8.44462128381270E-01 4.99514971978536E+01
|
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1.30000000000000E+00 3.49566845154400E-01 -3.58610641037222E-01 4.72188002709561E+01
|
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1.31000000000000E+00 3.28132644682300E-01 9.99138770378506E-02 4.44861033440585E+01
|
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1.32000000000000E+00 3.08027489551870E-01 5.31111425843950E-01 4.17534064171610E+01
|
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1.33000000000000E+00 2.89168028418980E-01 9.34982005381072E-01 3.90207094902634E+01
|
||||
1.34000000000000E+00 2.71476153812360E-01 1.31152561564922E+00 3.62880125633658E+01
|
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1.35000000000000E+00 2.54878683681300E-01 1.66074225664839E+00 3.35553156364683E+01
|
||||
1.36000000000000E+00 2.39307059630060E-01 1.98263192837858E+00 3.08226187095707E+01
|
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1.37000000000000E+00 2.24697061061090E-01 2.27719463083980E+00 2.80899217826731E+01
|
||||
1.38000000000000E+00 2.10988534829430E-01 2.54443036403204E+00 2.53572248557757E+01
|
||||
1.39000000000000E+00 1.98125139777320E-01 2.78433912795531E+00 2.26245279288781E+01
|
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1.40000000000000E+00 1.86054105766480E-01 2.99692092260960E+00 1.98918310019805E+01
|
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1.41000000000000E+00 1.74726006668020E-01 3.18217574799492E+00 1.71591340750830E+01
|
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1.42000000000000E+00 1.64094546879520E-01 3.34010360411126E+00 1.44264371481854E+01
|
||||
1.43000000000000E+00 1.54116360791740E-01 3.47070449095863E+00 1.16937402212878E+01
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1.44000000000000E+00 1.44750824686040E-01 3.57397840853702E+00 8.96104329439028E+00
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1.45000000000000E+00 1.35959880473080E-01 3.64992535684643E+00 6.22834636749271E+00
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1.46000000000000E+00 1.27707870671770E-01 3.69854533588687E+00 3.49564944059515E+00
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1.47000000000000E+00 1.19961384029040E-01 3.71983834565834E+00 7.62952513697588E-01
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1.48000000000000E+00 1.12689111169270E-01 3.71380438616083E+00 -1.96974441319998E+00
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1.49000000000000E+00 1.05861709671710E-01 3.68044345739434E+00 -4.70244134009754E+00
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1.50000000000000E+00 9.94516779828250E-02 3.61975555935888E+00 -7.43513826699510E+00
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1.51000000000000E+00 9.34332376396480E-02 3.54570720086685E+00 -7.37453343140918E+00
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1.52000000000000E+00 8.77822231774790E-02 3.47226489073069E+00 -7.31392859582327E+00
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1.53000000000000E+00 8.24759793395920E-02 3.39942862895039E+00 -7.25332376023735E+00
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1.54000000000000E+00 7.74932649393050E-02 3.32719841552595E+00 -7.19271892465143E+00
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1.55000000000000E+00 7.28141630982270E-02 3.25557425045736E+00 -7.13211408906551E+00
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1.56000000000000E+00 6.84199972690620E-02 3.18455613374463E+00 -7.07150925347960E+00
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1.57000000000000E+00 6.42932527804090E-02 3.11414406538777E+00 -7.01090441789368E+00
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||||
|
||||
|
||||
<JSON>
|
||||
{
|
||||
"aeval_integral": 3.9532896101875514,
|
||||
"l_max": 2,
|
||||
"Z_val": 4.0,
|
||||
"symbol": "Si",
|
||||
"aeden_integral": 13.954654497009505,
|
||||
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||||
"Z": 14,
|
||||
"aecore_integral": 10.001364886821953,
|
||||
"md5": "45c393525680abc7b25445b8ec62bf83"
|
||||
}
|
||||
</JSON>
|
||||
Loading…
Reference in New Issue