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abinit/tests/Psps_for_tests/H.psp8

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H ONCVPSP r_core= 1.01 0.71
1.0000 1.0000 161003 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 extension_switch
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163 1.6200000000000D+00 1.5105918606803D-01
164 1.6300000000000D+00 1.4824822510322D-01
165 1.6400000000000D+00 1.4549110482960D-01
166 1.6500000000000D+00 1.4278676269236D-01
167 1.6600000000000D+00 1.4013415782729D-01
168 1.6700000000000D+00 1.3753227059985D-01
169 1.6800000000000D+00 1.3498010215437D-01
170 1.6900000000000D+00 1.3247667397333D-01
171 1.7000000000000D+00 1.3002102744620D-01
172 1.7100000000000D+00 1.2761222344800D-01
173 1.7200000000000D+00 1.2524934192702D-01
174 1.7300000000000D+00 1.2293148150168D-01
175 1.7400000000000D+00 1.2065775906627D-01
176 1.7500000000000D+00 1.1842730940546D-01
177 1.7600000000000D+00 1.1623928481714D-01
178 1.7700000000000D+00 1.1409285474374D-01
179 1.7800000000000D+00 1.1198720541152D-01
180 1.7900000000000D+00 1.0992153947791D-01
181 1.8000000000000D+00 1.0789507568645D-01
182 1.8100000000000D+00 1.0590704852953D-01
183 1.8200000000000D+00 1.0395670791826D-01
184 1.8300000000000D+00 1.0204331885982D-01
185 1.8400000000000D+00 1.0016616114172D-01
186 1.8500000000000D+00 9.8324529023071D-02
187 1.8600000000000D+00 9.6517730932527D-02
188 1.8700000000000D+00 9.4745089172902D-02
189 1.8800000000000D+00 9.3005939632193D-02
190 1.8900000000000D+00 9.1299631500922D-02
191 1.9000000000000D+00 8.9625526995652D-02
192 1.9100000000000D+00 8.7983001088488D-02
193 1.9200000000000D+00 8.6371441242520D-02
194 1.9300000000000D+00 8.4790247152954D-02
195 1.9400000000000D+00 8.3238830493921D-02
196 1.9500000000000D+00 8.1716614670737D-02
197 1.9600000000000D+00 8.0223034577554D-02
198 1.9700000000000D+00 7.8757536360261D-02
199 1.9800000000000D+00 7.7319577184483D-02
200 1.9900000000000D+00 7.5908625008639D-02
201 2.0000000000000D+00 7.4524158361846D-02
202 2.0100000000000D+00 7.3165666126655D-02
203 2.0200000000000D+00 7.1832647326426D-02
204 2.0300000000000D+00 7.0524610917315D-02
205 2.0400000000000D+00 6.9241075584730D-02
206 2.0500000000000D+00 6.7981569544085D-02
207 2.0600000000000D+00 6.6745630345769D-02
208 2.0700000000000D+00 6.5532804684498D-02
209 2.0800000000000D+00 6.4342648212760D-02
210 2.0900000000000D+00 6.3174725358140D-02
211 2.1000000000000D+00 6.2028609144397D-02
212 2.1100000000000D+00 6.0903881016334D-02
213 2.1200000000000D+00 5.9800130668650D-02
214 2.1300000000000D+00 5.8716955878348D-02
215 2.1400000000000D+00 5.7653962340684D-02
216 2.1500000000000D+00 5.6610763508515D-02
217 2.1600000000000D+00 5.5586980435146D-02
218 2.1700000000000D+00 5.4582241620426D-02
219 2.1800000000000D+00 5.3596182860138D-02
220 2.1900000000000D+00 5.2628447098564D-02
221 2.2000000000000D+00 5.1678684284111D-02
222 2.2100000000000D+00 5.0746551228035D-02
223 2.2200000000000D+00 4.9831711466081D-02
224 2.2300000000000D+00 4.8933835123040D-02
225 2.2400000000000D+00 4.8052598780172D-02
226 2.2500000000000D+00 4.7187685345347D-02
227 2.2600000000000D+00 4.6338783925951D-02
228 2.2700000000000D+00 4.5505589704423D-02
229 2.2800000000000D+00 4.4687803816366D-02
230 2.2900000000000D+00 4.3885133231243D-02
231 2.3000000000000D+00 4.3097290635508D-02
232 2.3100000000000D+00 4.2323994318173D-02
233 2.3200000000000D+00 4.1564968058786D-02
234 2.3300000000000D+00 4.0819941017666D-02
235 2.3400000000000D+00 4.0088647628452D-02
236 2.3500000000000D+00 3.9370827492878D-02
237 2.3600000000000D+00 3.8666225277671D-02
238 2.3700000000000D+00 3.7974590613629D-02
239 2.3800000000000D+00 3.7295677996751D-02
240 2.3900000000000D+00 3.6629246691380D-02
241 2.4000000000000D+00 3.5975060635390D-02
242 2.4100000000000D+00 3.5332888347265D-02
243 2.4200000000000D+00 3.4702502835090D-02
244 2.4300000000000D+00 3.4083681507453D-02
245 2.4400000000000D+00 3.3476206086103D-02
246 2.4500000000000D+00 3.2879862520419D-02
247 2.4600000000000D+00 3.2294440903658D-02
248 2.4700000000000D+00 3.1719735390849D-02
249 2.4800000000000D+00 3.1155544118383D-02
250 2.4900000000000D+00 3.0601669125282D-02
251 2.5000000000000D+00 3.0057916275990D-02
252 2.5100000000000D+00 2.9524095184775D-02
253 2.5200000000000D+00 2.9000019141689D-02
254 2.5300000000000D+00 2.8485505039967D-02
255 2.5400000000000D+00 2.7980373304924D-02
256 2.5500000000000D+00 2.7484447824330D-02
257 2.5600000000000D+00 2.6997555880115D-02
258 2.5700000000000D+00 2.6519528081494D-02
259 2.5800000000000D+00 2.6050198299472D-02
260 2.5900000000000D+00 2.5589403602604D-02
261 2.6000000000000D+00 2.5136984194072D-02
262 2.6100000000000D+00 2.4692783350074D-02
263 2.6200000000000D+00 2.4256647359381D-02
264 2.6300000000000D+00 2.3828425464135D-02
265 2.6400000000000D+00 2.3407969801874D-02
266 2.6500000000000D+00 2.2995135348657D-02
267 2.6600000000000D+00 2.2589779863354D-02
268 2.6700000000000D+00 2.2191763833082D-02
269 2.6800000000000D+00 2.1800950419691D-02
270 2.6900000000000D+00 2.1417205407323D-02
271 2.7000000000000D+00 2.1040397151053D-02
272 2.7100000000000D+00 2.0670396526534D-02
273 2.7200000000000D+00 2.0307076880630D-02
274 2.7300000000000D+00 1.9950313983057D-02
275 2.7400000000000D+00 1.9599985979010D-02
276 2.7500000000000D+00 1.9255973342671D-02
277 2.7600000000000D+00 1.8918158831683D-02
278 2.7700000000000D+00 1.8586427442565D-02
279 2.7800000000000D+00 1.8260666366932D-02
280 2.7900000000000D+00 1.7940764948636D-02
281 2.8000000000000D+00 1.7626614641776D-02
282 2.8100000000000D+00 1.7318108969501D-02
283 2.8200000000000D+00 1.7015143483638D-02
284 2.8300000000000D+00 1.6717615725148D-02
285 2.8400000000000D+00 1.6425425185354D-02
286 2.8500000000000D+00 1.6138473267918D-02
287 2.8600000000000D+00 1.5856663251577D-02
288 2.8700000000000D+00 1.5579900253673D-02
289 2.8800000000000D+00 1.5308091194322D-02
290 2.8900000000000D+00 1.5041144761325D-02
291 2.9000000000000D+00 1.4778971375811D-02
292 2.9100000000000D+00 1.4521483158511D-02
293 2.9200000000000D+00 1.4268593896710D-02
294 2.9300000000000D+00 1.4020219011856D-02
295 2.9400000000000D+00 1.3776275527839D-02
296 2.9500000000000D+00 1.3536682039843D-02
297 2.9600000000000D+00 1.3301358683834D-02
298 2.9700000000000D+00 1.3070227106681D-02
299 2.9800000000000D+00 1.2843210436833D-02
300 2.9900000000000D+00 1.2620233255572D-02
<INPUT>
ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
scalar-relativistic version 3.2.2 08/07/2015
While it is not required under the terms of the GNU GPL, it is
suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
in any publication utilizing these pseudopotentials.
# ATOM AND REFERENCE CONFIGURATION
# atsym z nc nv iexc psfile
H 1.00 0 1 4 psp8
#
# n l f energy (Ha)
1 0 1.00 -2.3860171D-01
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
1
#
# l, rc, ep, ncon, nbas, qcut
0 1.00 -0.24 4 7 8.50
1 0.70 0.05 4 7 11.00
#
# LOCAL POTENTIAL
# lloc, lpopt, rc(5), dvloc0
4 5 0.70 0.00
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
0 2 1.0000
1 1 1.0000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
0 0.00 0.00
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
-12.00 12.00 0.02
#
# OUTPUT GRID
# rlmax, drl
3.00 0.01
#
# TEST CONFIGURATIONS
# ncnf
0
# nvcnf
# n l f
</INPUT>
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