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01_H_1_1.0_1.0_pbe_v1.0.psp8
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01_H_1_1.0_1.0_pbe_v1.0.psp8
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H ONCVPSP-4.0.1 r_core= 1.03328 1.00283
1.0000 1.0000 220318 zatom,zion,pspd
8 11 1 4 300 0 pspcod,pspxc,lmax,lloc,mmax,r2well
2.99000000 0.00000000 0.00000000 rchrg fchrg qchrg
2 1 0 0 0 nproj
1 1 extension_switch
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244 2.43 0. 0.
245 2.44 0. 0.
246 2.45 0. 0.
247 2.46 0. 0.
248 2.47 0. 0.
249 2.48 0. 0.
250 2.49 0. 0.
251 2.50 0. 0.
252 2.51 0. 0.
253 2.52 0. 0.
254 2.53 0. 0.
255 2.54 0. 0.
256 2.55 0. 0.
257 2.56 0. 0.
258 2.57 0. 0.
259 2.58 0. 0.
260 2.59 0. 0.
261 2.60 0. 0.
262 2.61 0. 0.
263 2.62 0. 0.
264 2.63 0. 0.
265 2.64 0. 0.
266 2.65 0. 0.
267 2.66 0. 0.
268 2.67 0. 0.
269 2.68 0. 0.
270 2.69 0. 0.
271 2.70 0. 0.
272 2.71 0. 0.
273 2.72 0. 0.
274 2.73 0. 0.
275 2.74 0. 0.
276 2.75 0. 0.
277 2.76 0. 0.
278 2.77 0. 0.
279 2.78 0. 0.
280 2.79 0. 0.
281 2.80 0. 0.
282 2.81 0. 0.
283 2.82 0. 0.
284 2.83 0. 0.
285 2.84 0. 0.
286 2.85 0. 0.
287 2.86 0. 0.
288 2.87 0. 0.
289 2.88 0. 0.
290 2.89 0. 0.
291 2.90 0. 0.
292 2.91 0. 0.
293 2.92 0. 0.
294 2.93 0. 0.
295 2.94 0. 0.
296 2.95 0. 0.
297 2.96 0. 0.
298 2.97 0. 0.
299 2.98 0. 0.
300 2.99 0. 0.
1 -1.2532531417062E-01
1 0.0000000000000E+00 -1.4896984978918E-08
2 1.0000000000000E-02 -3.5014613722655E-03
3 2.0000000000000E-02 -1.3971195781119E-02
4 3.0000000000000E-02 -3.1305756648699E-02
5 4.0000000000000E-02 -5.5334399788071E-02
6 5.0000000000000E-02 -8.5821554364565E-02
7 6.0000000000000E-02 -1.2247022425867E-01
8 7.0000000000000E-02 -1.6492626282367E-01
9 8.0000000000000E-02 -2.1278344913422E-01
10 9.0000000000000E-02 -2.6558927994369E-01
11 1.0000000000000E-01 -3.2285137892434E-01
12 1.1000000000000E-01 -3.8404441354467E-01
13 1.2000000000000E-01 -4.4861740033286E-01
14 1.3000000000000E-01 -5.1600127144115E-01
15 1.4000000000000E-01 -5.8561656952388E-01
16 1.5000000000000E-01 -6.5688113409221E-01
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18 1.7000000000000E-01 -8.0206085587170E-01
19 1.8000000000000E-01 -8.7486447010642E-01
20 1.9000000000000E-01 -9.4710738342653E-01
21 2.0000000000000E-01 -1.0182993168918E+00
22 2.1000000000000E-01 -1.0879856403320E+00
23 2.2000000000000E-01 -1.1557513153132E+00
24 2.3000000000000E-01 -1.2212238677829E+00
25 2.4000000000000E-01 -1.2840753212688E+00
26 2.5000000000000E-01 -1.3440230400532E+00
27 2.6000000000000E-01 -1.4008294521217E+00
28 2.7000000000000E-01 -1.4543006437132E+00
29 2.8000000000000E-01 -1.5042838407725E+00
30 2.9000000000000E-01 -1.5506638172963E+00
31 3.0000000000000E-01 -1.5933582962263E+00
32 3.1000000000000E-01 -1.6323124349154E+00
33 3.2000000000000E-01 -1.6674925139896E+00
34 3.3000000000000E-01 -1.6988789753758E+00
35 3.4000000000000E-01 -1.7264589820567E+00
36 3.5000000000000E-01 -1.7502186984608E+00
37 3.6000000000000E-01 -1.7701355159996E+00
38 3.7000000000000E-01 -1.7861704728320E+00
39 3.8000000000000E-01 -1.7982611401950E+00
40 3.9000000000000E-01 -1.8063152693150E+00
41 4.0000000000000E-01 -1.8102055127602E+00
42 4.1000000000000E-01 -1.8097655518835E+00
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44 4.3000000000000E-01 -1.7950242842683E+00
45 4.4000000000000E-01 -1.7801873489406E+00
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47 4.6000000000000E-01 -1.7339874658836E+00
48 4.7000000000000E-01 -1.7019218745682E+00
49 4.8000000000000E-01 -1.6634062124756E+00
50 4.9000000000000E-01 -1.6181111018529E+00
51 5.0000000000000E-01 -1.5657569862668E+00
52 5.1000000000000E-01 -1.5061446869410E+00
53 5.2000000000000E-01 -1.4391914582388E+00
54 5.3000000000000E-01 -1.3649728851548E+00
55 5.4000000000000E-01 -1.2837709502632E+00
56 5.5000000000000E-01 -1.1961285803111E+00
57 5.6000000000000E-01 -1.1029109455792E+00
58 5.7000000000000E-01 -1.0053607675743E+00
59 5.8000000000000E-01 -9.0494680674670E-01
60 5.9000000000000E-01 -8.0309565723268E-01
61 6.0000000000000E-01 -7.0114466679215E-01
62 6.1000000000000E-01 -6.0033248822544E-01
63 6.2000000000000E-01 -5.0179130322631E-01
64 6.3000000000000E-01 -4.0654071731469E-01
65 6.4000000000000E-01 -3.1548329862259E-01
66 6.5000000000000E-01 -2.2940171735583E-01
67 6.6000000000000E-01 -1.4895742575574E-01
68 6.7000000000000E-01 -7.4690804586192E-02
69 6.8000000000000E-01 -7.0226889973975E-03
70 6.9000000000000E-01 5.3742823548291E-02
71 7.0000000000000E-01 1.0741438814361E-01
72 7.1000000000000E-01 1.5390836185021E-01
73 7.2000000000000E-01 1.9324280600571E-01
74 7.3000000000000E-01 2.2553066142820E-01
75 7.4000000000000E-01 2.5097221464746E-01
76 7.5000000000000E-01 2.6984697775085E-01
77 7.6000000000000E-01 2.8250510087798E-01
78 7.7000000000000E-01 2.8935842794581E-01
79 7.8000000000000E-01 2.9087130743035E-01
80 7.9000000000000E-01 2.8755126384529E-01
81 8.0000000000000E-01 2.7993962128998E-01
82 8.1000000000000E-01 2.6860217154253E-01
83 8.2000000000000E-01 2.5411996905540E-01
84 8.3000000000000E-01 2.3708031866215E-01
85 8.4000000000000E-01 2.1806802731351E-01
86 8.5000000000000E-01 1.9765696963944E-01
87 8.6000000000000E-01 1.7640201258809E-01
88 8.7000000000000E-01 1.5483134369805E-01
89 8.8000000000000E-01 1.3343922384151E-01
90 8.9000000000000E-01 1.1267919714079E-01
91 9.0000000000000E-01 9.2957766084363E-02
92 9.1000000000000E-01 7.4628549690101E-02
93 9.2000000000000E-01 5.7986925520475E-02
94 9.3000000000000E-01 4.3265160014400E-02
95 9.4000000000000E-01 3.0628126268789E-02
96 9.5000000000000E-01 2.0168818190670E-02
97 9.6000000000000E-01 1.2030458019830E-02
98 9.7000000000000E-01 6.3321451017640E-03
99 9.8000000000000E-01 2.6993339358969E-03
100 9.9000000000000E-01 7.3552235218386E-04
101 1.0000000000000E+00 3.5863369382648E-05
102 1.0100000000000E+00 1.3179723774854E-06
103 1.0200000000000E+00 -1.7202183145683E-07
104 1.03 0.
105 1.04 0.
106 1.05 0.
107 1.06 0.
108 1.07 0.
109 1.08 0.
110 1.09 0.
111 1.10 0.
112 1.11 0.
113 1.12 0.
114 1.13 0.
115 1.14 0.
116 1.15 0.
117 1.16 0.
118 1.17 0.
119 1.18 0.
120 1.19 0.
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122 1.21 0.
123 1.22 0.
124 1.23 0.
125 1.24 0.
126 1.25 0.
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128 1.27 0.
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130 1.29 0.
131 1.30 0.
132 1.31 0.
133 1.32 0.
134 1.33 0.
135 1.34 0.
136 1.35 0.
137 1.36 0.
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140 1.39 0.
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148 1.47 0.
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162 1.61 0.
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165 1.64 0.
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169 1.68 0.
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184 1.83 0.
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190 1.89 0.
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192 1.91 0.
193 1.92 0.
194 1.93 0.
195 1.94 0.
196 1.95 0.
197 1.96 0.
198 1.97 0.
199 1.98 0.
200 1.99 0.
201 2.00 0.
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203 2.02 0.
204 2.03 0.
205 2.04 0.
206 2.05 0.
207 2.06 0.
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210 2.09 0.
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214 2.13 0.
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4
1 0.0000000000000E+00 -3.9795885599587E+00
2 1.0000000000000E-02 -3.9781043889449E+00
3 2.0000000000000E-02 -3.9736577278404E+00
4 3.0000000000000E-02 -3.9662665940729E+00
5 4.0000000000000E-02 -3.9559606882435E+00
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7 6.0000000000000E-02 -3.9267797994186E+00
8 7.0000000000000E-02 -3.9080190921854E+00
9 8.0000000000000E-02 -3.8865708656655E+00
10 9.0000000000000E-02 -3.8625158306125E+00
11 1.0000000000000E-01 -3.8359426656213E+00
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13 1.2000000000000E-01 -3.7756311028646E+00
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21 2.0000000000000E-01 -3.4551222249483E+00
22 2.1000000000000E-01 -3.4080936696088E+00
23 2.2000000000000E-01 -3.3599189830671E+00
24 2.3000000000000E-01 -3.3107171805723E+00
25 2.4000000000000E-01 -3.2606059984956E+00
26 2.5000000000000E-01 -3.2097017252606E+00
27 2.6000000000000E-01 -3.1581190796540E+00
28 2.7000000000000E-01 -3.1059711261739E+00
29 2.8000000000000E-01 -3.0533692171123E+00
30 2.9000000000000E-01 -3.0004229507459E+00
31 3.0000000000000E-01 -2.9472401364804E+00
32 3.1000000000000E-01 -2.8939267575029E+00
33 3.2000000000000E-01 -2.8405869227701E+00
34 3.3000000000000E-01 -2.7873228014252E+00
35 3.4000000000000E-01 -2.7342345332299E+00
36 3.5000000000000E-01 -2.6814201095095E+00
37 3.6000000000000E-01 -2.6289752209122E+00
38 3.7000000000000E-01 -2.5769930679991E+00
39 3.8000000000000E-01 -2.5255641325587E+00
40 3.9000000000000E-01 -2.4747759078617E+00
41 4.0000000000000E-01 -2.4247125865339E+00
42 4.1000000000000E-01 -2.3754547060594E+00
43 4.2000000000000E-01 -2.3270787519790E+00
44 4.3000000000000E-01 -2.2796567192196E+00
45 4.4000000000000E-01 -2.2332556328573E+00
46 4.5000000000000E-01 -2.1879370298026E+00
47 4.6000000000000E-01 -2.1437564028755E+00
48 4.7000000000000E-01 -2.1007626095633E+00
49 4.8000000000000E-01 -2.0589972474048E+00
50 4.9000000000000E-01 -2.0184939984897E+00
51 5.0000000000000E-01 -1.9792779454048E+00
52 5.1000000000000E-01 -1.9413648613036E+00
53 5.2000000000000E-01 -1.9047604765175E+00
54 5.3000000000000E-01 -1.8694597243472E+00
55 5.4000000000000E-01 -1.8354459686203E+00
56 5.5000000000000E-01 -1.8026902153984E+00
57 5.6000000000000E-01 -1.7711503119215E+00
58 5.7000000000000E-01 -1.7407705901154E+00
59 5.8000000000000E-01 -1.7114886870807E+00
60 5.9000000000000E-01 -1.6832451203171E+00
61 6.0000000000000E-01 -1.6559842156289E+00
62 6.1000000000000E-01 -1.6296537393194E+00
63 6.2000000000000E-01 -1.6042045703881E+00
64 6.3000000000000E-01 -1.5795904101406E+00
65 6.4000000000000E-01 -1.5557675269197E+00
66 6.5000000000000E-01 -1.5326945338311E+00
67 6.6000000000000E-01 -1.5103321974234E+00
68 6.7000000000000E-01 -1.4886432752764E+00
69 6.8000000000000E-01 -1.4675923805384E+00
70 6.9000000000000E-01 -1.4471458714620E+00
71 7.0000000000000E-01 -1.4272717639389E+00
72 7.1000000000000E-01 -1.4079396650747E+00
73 7.2000000000000E-01 -1.3891207257625E+00
74 7.3000000000000E-01 -1.3707876101467E+00
75 7.4000000000000E-01 -1.3529144797884E+00
76 7.5000000000000E-01 -1.3354769901728E+00
77 7.6000000000000E-01 -1.3184522970847E+00
78 7.7000000000000E-01 -1.3018190701788E+00
79 7.8000000000000E-01 -1.2855575108971E+00
80 7.9000000000000E-01 -1.2696493717619E+00
81 8.0000000000000E-01 -1.2540779738929E+00
82 8.1000000000000E-01 -1.2388282195974E+00
83 8.2000000000000E-01 -1.2238865968717E+00
84 8.3000000000000E-01 -1.2092411727616E+00
85 8.4000000000000E-01 -1.1948815728044E+00
86 8.5000000000000E-01 -1.1807989440916E+00
87 8.6000000000000E-01 -1.1669858999833E+00
88 8.7000000000000E-01 -1.1534364450932E+00
89 8.8000000000000E-01 -1.1401458798488E+00
90 8.9000000000000E-01 -1.1271106846801E+00
91 9.0000000000000E-01 -1.1143283847037E+00
92 9.1000000000000E-01 -1.1017973965747E+00
93 9.2000000000000E-01 -1.0895168600001E+00
94 9.3000000000000E-01 -1.0774864571218E+00
95 9.4000000000000E-01 -1.0657062236546E+00
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97 9.6000000000000E-01 -1.0428970203655E+00
98 9.7000000000000E-01 -1.0318681650964E+00
99 9.8000000000000E-01 -1.0210893471621E+00
100 9.9000000000000E-01 -1.0105595498275E+00
101 1.0000000000000E+00 -1.0002770614933E+00
102 1.0100000000000E+00 -9.9023943436503E-01
103 1.0200000000000E+00 -9.8044329325330E-01
104 1.0300000000000E+00 -9.7088446934929E-01
105 1.0400000000000E+00 -9.6154639764068E-01
106 1.0500000000000E+00 -9.5238867656454E-01
107 1.0600000000000E+00 -9.4340380410165E-01
108 1.0700000000000E+00 -9.3458683510702E-01
109 1.0800000000000E+00 -9.2593320036767E-01
110 1.0900000000000E+00 -9.1743834511925E-01
111 1.1000000000000E+00 -9.0909794250845E-01
112 1.1100000000000E+00 -9.0090781821956E-01
113 1.1200000000000E+00 -8.9286394693283E-01
114 1.1300000000000E+00 -8.8496244581669E-01
115 1.1400000000000E+00 -8.7719956827850E-01
116 1.1500000000000E+00 -8.6957169804549E-01
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120 1.1900000000000E+00 -8.4034221908890E-01
121 1.2000000000000E+00 -8.3333932478221E-01
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125 1.2400000000000E+00 -8.0645725297808E-01
126 1.2500000000000E+00 -8.0000555728217E-01
127 1.2600000000000E+00 -7.9365627005010E-01
128 1.2700000000000E+00 -7.8740697217727E-01
129 1.2800000000000E+00 -7.8125532015697E-01
130 1.2900000000000E+00 -7.7519904314694E-01
131 1.3000000000000E+00 -7.6923594018049E-01
132 1.3100000000000E+00 -7.6336387749281E-01
133 1.3200000000000E+00 -7.5758078597961E-01
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135 1.3400000000000E+00 -7.4627354888474E-01
136 1.3500000000000E+00 -7.4074556705320E-01
137 1.3600000000000E+00 -7.3529887955817E-01
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145 1.4400000000000E+00 -6.9444873910728E-01
146 1.4500000000000E+00 -6.8965941415582E-01
147 1.4600000000000E+00 -6.8493569678395E-01
148 1.4700000000000E+00 -6.8027624805523E-01
149 1.4800000000000E+00 -6.7567976522039E-01
150 1.4900000000000E+00 -6.7114498050304E-01
151 1.5000000000000E+00 -6.6667065993388E-01
152 1.5100000000000E+00 -6.6225560223249E-01
153 1.5200000000000E+00 -6.5789863772994E-01
154 1.5300000000000E+00 -6.5359862733743E-01
155 1.5400000000000E+00 -6.4935446155301E-01
156 1.5500000000000E+00 -6.4516505950603E-01
157 1.5600000000000E+00 -6.4102936804187E-01
158 1.5700000000000E+00 -6.3694636083640E-01
159 1.5800000000000E+00 -6.3291503754963E-01
160 1.5900000000000E+00 -6.2893442300613E-01
161 1.6000000000000E+00 -6.2500356641064E-01
162 1.6100000000000E+00 -6.2112154058981E-01
163 1.6200000000000E+00 -6.1728744126360E-01
164 1.6300000000000E+00 -6.1350038634246E-01
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