04_Be_4_1.8_1.9_pbe_v1.0.psp8

Be    ONCVPSP-4.0.1  r_core=   1.85703   1.80230
      4.0000      4.0000      220120    zatom,zion,pspd
     8      11   1     4   400     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  3.99000000  0.00000000  0.00000000    rchrg fchrg qchrg
     2     2     0     0     0    nproj
     1     1           extension_switch
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   248  2.4700000000000E+00  1.2157495558333E-01  1.2157575706707E-01  0.0000000000000E+00
   249  2.4800000000000E+00  1.2011657967594E-01  1.2011736849245E-01  0.0000000000000E+00
   250  2.4900000000000E+00  1.1867131662990E-01  1.1867209299423E-01  0.0000000000000E+00
   251  2.5000000000000E+00  1.1723917068070E-01  1.1723993480423E-01  0.0000000000000E+00
   252  2.5100000000000E+00  1.1582014177567E-01  1.1582089386622E-01  0.0000000000000E+00
   253  2.5200000000000E+00  1.1441422571242E-01  1.1441496597428E-01  0.0000000000000E+00
   254  2.5300000000000E+00  1.1302141427471E-01  1.1302214290875E-01  0.0000000000000E+00
   255  2.5400000000000E+00  1.1164169536574E-01  1.1164241256945E-01  0.0000000000000E+00
   256  2.5500000000000E+00  1.1027505313875E-01  1.1027575910630E-01  0.0000000000000E+00
   257  2.5600000000000E+00  1.0892146812505E-01  1.0892216304737E-01  0.0000000000000E+00
   258  2.5700000000000E+00  1.0758091735943E-01  1.0758160142424E-01  0.0000000000000E+00
   259  2.5800000000000E+00  1.0625337450287E-01  1.0625404789477E-01  0.0000000000000E+00
   260  2.5900000000000E+00  1.0493880996277E-01  1.0493947286326E-01  0.0000000000000E+00
   261  2.6000000000000E+00  1.0363719101044E-01  1.0363784359799E-01  0.0000000000000E+00
   262  2.6100000000000E+00  1.0234848189609E-01  1.0234912434620E-01  0.0000000000000E+00
   263  2.6200000000000E+00  1.0107264396123E-01  1.0107327644647E-01  0.0000000000000E+00
   264  2.6300000000000E+00  9.9809635748522E-02  9.9810258438560E-02  0.0000000000000E+00
   265  2.6400000000000E+00  9.8559413109050E-02  9.8560026170740E-02  0.0000000000000E+00
   266  2.6500000000000E+00  9.7321929307173E-02  9.7322532904572E-02  0.0000000000000E+00
   267  2.6600000000000E+00  9.6097135122827E-02  9.6097729417248E-02  0.0000000000000E+00
   268  2.6700000000000E+00  9.4884978951409E-02  9.4885564101463E-02  0.0000000000000E+00
   269  2.6800000000000E+00  9.3685406901223E-02  9.3685983062862E-02  0.0000000000000E+00
   270  2.6900000000000E+00  9.2498362888537E-02  9.2498930215098E-02  0.0000000000000E+00
   271  2.7000000000000E+00  9.1323788730286E-02  9.1324347372526E-02  0.0000000000000E+00
   272  2.7100000000000E+00  9.0161624234430E-02  9.0162174340573E-02  0.0000000000000E+00
   273  2.7200000000000E+00  8.9011807288035E-02  8.9012349003804E-02  0.0000000000000E+00
   274  2.7300000000000E+00  8.7874273943080E-02  8.7874807411740E-02  0.0000000000000E+00
   275  2.7400000000000E+00  8.6748958500050E-02  8.6749483862442E-02  0.0000000000000E+00
   276  2.7500000000000E+00  8.5635793589326E-02  8.5636310983908E-02  0.0000000000000E+00
   277  2.7600000000000E+00  8.4534710250442E-02  8.4535219813322E-02  0.0000000000000E+00
   278  2.7700000000000E+00  8.3445638009205E-02  8.3446139874176E-02  0.0000000000000E+00
   279  2.7800000000000E+00  8.2368504952750E-02  8.2368999251328E-02  0.0000000000000E+00
   280  2.7900000000000E+00  8.1303237802553E-02  8.1303724664008E-02  0.0000000000000E+00
   281  2.8000000000000E+00  8.0249761985432E-02  8.0250241536825E-02  0.0000000000000E+00
   282  2.8100000000000E+00  7.9208001702588E-02  7.9208474068802E-02  0.0000000000000E+00
   283  2.8200000000000E+00  7.8177879996720E-02  7.8178345300494E-02  0.0000000000000E+00
   284  2.8300000000000E+00  7.7159318817241E-02  7.7159777179201E-02  0.0000000000000E+00
   285  2.8400000000000E+00  7.6152239083648E-02  7.6152690622340E-02  0.0000000000000E+00
   286  2.8500000000000E+00  7.5156560747074E-02  7.5157005578996E-02  0.0000000000000E+00
   287  2.8600000000000E+00  7.4172202850061E-02  7.4172641089692E-02  0.0000000000000E+00
   288  2.8700000000000E+00  7.3199083584589E-02  7.3199515344423E-02  0.0000000000000E+00
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   294  2.9300000000000E+00  6.7591704683247E-02  6.7592099819105E-02  0.0000000000000E+00
   295  2.9400000000000E+00  6.6694905183084E-02  6.6695294573437E-02  0.0000000000000E+00
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   297  2.9600000000000E+00  6.4932898957786E-02  6.4933277148350E-02  0.0000000000000E+00
   298  2.9700000000000E+00  6.4067517632643E-02  6.4067890365491E-02  0.0000000000000E+00
   299  2.9800000000000E+00  6.3212433876930E-02  6.3212801244606E-02  0.0000000000000E+00
   300  2.9900000000000E+00  6.2367559617810E-02  6.2367921711209E-02  0.0000000000000E+00
   301  3.0000000000000E+00  6.1532806544115E-02  6.1533163452509E-02  0.0000000000000E+00
   302  3.0100000000000E+00  6.0708086143697E-02  6.0708437954760E-02  0.0000000000000E+00
   303  3.0200000000000E+00  5.9893309739547E-02  5.9893656539385E-02  0.0000000000000E+00
   304  3.0300000000000E+00  5.9088388524721E-02  5.9088730397888E-02  0.0000000000000E+00
   305  3.0400000000000E+00  5.8293233596082E-02  5.8293570625613E-02  0.0000000000000E+00
   306  3.0500000000000E+00  5.7507755986911E-02  5.7508088254345E-02  0.0000000000000E+00
   307  3.0600000000000E+00  5.6731866698404E-02  5.6732194283804E-02  0.0000000000000E+00
   308  3.0700000000000E+00  5.5965476730076E-02  5.5965799712060E-02  0.0000000000000E+00
   309  3.0800000000000E+00  5.5208497109121E-02  5.5208815564876E-02  0.0000000000000E+00
   310  3.0900000000000E+00  5.4460838918723E-02  5.4461152924040E-02  0.0000000000000E+00
   311  3.1000000000000E+00  5.3722413325383E-02  5.3722722954670E-02  0.0000000000000E+00
   312  3.1100000000000E+00  5.2993131605253E-02  5.2993436931564E-02  0.0000000000000E+00
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   317  3.1600000000000E+00  4.9480786565215E-02  4.9481071426550E-02  0.0000000000000E+00
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   320  3.1900000000000E+00  4.7477465870105E-02  4.7477739247125E-02  0.0000000000000E+00
   321  3.2000000000000E+00  4.6826516381226E-02  4.6826786055361E-02  0.0000000000000E+00
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   323  3.2200000000000E+00  4.5549334798123E-02  4.5549597247434E-02  0.0000000000000E+00
   324  3.2300000000000E+00  4.4922930992449E-02  4.4923189917594E-02  0.0000000000000E+00
   325  3.2400000000000E+00  4.4304537982323E-02  4.4304793440682E-02  0.0000000000000E+00
   326  3.2500000000000E+00  4.3694070853854E-02  4.3694322901742E-02  0.0000000000000E+00
   327  3.2600000000000E+00  4.3091445096494E-02  4.3091693789180E-02  0.0000000000000E+00
   328  3.2700000000000E+00  4.2496576616820E-02  4.2496822008547E-02  0.0000000000000E+00
   329  3.2800000000000E+00  4.1909381751706E-02  4.1909623895708E-02  0.0000000000000E+00
   330  3.2900000000000E+00  4.1329777280891E-02  4.1330016229410E-02  0.0000000000000E+00
   331  3.3000000000000E+00  4.0757680438959E-02  4.0757916243264E-02  0.0000000000000E+00
   332  3.3100000000000E+00  4.0193008926778E-02  4.0193241637179E-02  0.0000000000000E+00
   333  3.3200000000000E+00  3.9635680922371E-02  3.9635910588244E-02  0.0000000000000E+00
   334  3.3300000000000E+00  3.9085615091251E-02  3.9085841761055E-02  0.0000000000000E+00
   335  3.3400000000000E+00  3.8542730596233E-02  3.8542954317520E-02  0.0000000000000E+00
   336  3.3500000000000E+00  3.8006947106756E-02  3.8007167926193E-02  0.0000000000000E+00
   337  3.3600000000000E+00  3.7478184807712E-02  3.7478402771094E-02  0.0000000000000E+00
   338  3.3700000000000E+00  3.6956364407797E-02  3.6956579560063E-02  0.0000000000000E+00
   339  3.3800000000000E+00  3.6441407147396E-02  3.6441619532649E-02  0.0000000000000E+00
   340  3.3900000000000E+00  3.5933234806026E-02  3.5933444467545E-02  0.0000000000000E+00
   341  3.4000000000000E+00  3.5431769709341E-02  3.5431976689598E-02  0.0000000000000E+00
   342  3.4100000000000E+00  3.4936934735715E-02  3.4937139076389E-02  0.0000000000000E+00
   343  3.4200000000000E+00  3.4448653322413E-02  3.4448855064406E-02  0.0000000000000E+00
   344  3.4300000000000E+00  3.3966849471364E-02  3.3967048654816E-02  0.0000000000000E+00
   345  3.4400000000000E+00  3.3491447754551E-02  3.3491644418854E-02  0.0000000000000E+00
   346  3.4500000000000E+00  3.3022373319023E-02  3.3022567502835E-02  0.0000000000000E+00
   347  3.4600000000000E+00  3.2559551891543E-02  3.2559743632802E-02  0.0000000000000E+00
   348  3.4700000000000E+00  3.2102909782887E-02  3.2103099118825E-02  0.0000000000000E+00
   349  3.4800000000000E+00  3.1652373891796E-02  3.1652560858954E-02  0.0000000000000E+00
   350  3.4900000000000E+00  3.1207871708599E-02  3.1208056342840E-02  0.0000000000000E+00
   351  3.5000000000000E+00  3.0769331318518E-02  3.0769513655038E-02  0.0000000000000E+00
   352  3.5100000000000E+00  3.0336681404655E-02  3.0336861477999E-02  0.0000000000000E+00
   353  3.5200000000000E+00  2.9909851250682E-02  2.9910029094753E-02  0.0000000000000E+00
   354  3.5300000000000E+00  2.9488770743234E-02  2.9488946391311E-02  0.0000000000000E+00
   355  3.5400000000000E+00  2.9073370374025E-02  2.9073543858771E-02  0.0000000000000E+00
   356  3.5500000000000E+00  2.8663581241686E-02  2.8663752595161E-02  0.0000000000000E+00
   357  3.5600000000000E+00  2.8259335053336E-02  2.8259504307008E-02  0.0000000000000E+00
   358  3.5700000000000E+00  2.7860564125897E-02  2.7860731310659E-02  0.0000000000000E+00
   359  3.5800000000000E+00  2.7467201387164E-02  2.7467366533338E-02  0.0000000000000E+00
   360  3.5900000000000E+00  2.7079180376629E-02  2.7079343513983E-02  0.0000000000000E+00
   361  3.6000000000000E+00  2.6696435246075E-02  2.6696596403830E-02  0.0000000000000E+00
   362  3.6100000000000E+00  2.6318900759944E-02  2.6319059966790E-02  0.0000000000000E+00
   363  3.6200000000000E+00  2.5946512295489E-02  2.5946669579591E-02  0.0000000000000E+00
   364  3.6300000000000E+00  2.5579205842713E-02  2.5579361231724E-02  0.0000000000000E+00
   365  3.6400000000000E+00  2.5216918004110E-02  2.5217071525180E-02  0.0000000000000E+00
   366  3.6500000000000E+00  2.4859585994200E-02  2.4859737673988E-02  0.0000000000000E+00
   367  3.6600000000000E+00  2.4507147638889E-02  2.4507297503571E-02  0.0000000000000E+00
   368  3.6700000000000E+00  2.4159541374631E-02  2.4159689449911E-02  0.0000000000000E+00
   369  3.6800000000000E+00  2.3816706247426E-02  2.3816852558546E-02  0.0000000000000E+00
   370  3.6900000000000E+00  2.3478581911644E-02  2.3478726483391E-02  0.0000000000000E+00
   371  3.7000000000000E+00  2.3145108628677E-02  2.3145251485396E-02  0.0000000000000E+00
   372  3.7100000000000E+00  2.2816227265449E-02  2.2816368431050E-02  0.0000000000000E+00
   373  3.7200000000000E+00  2.2491879292761E-02  2.2492018790728E-02  0.0000000000000E+00
   374  3.7300000000000E+00  2.2172006783496E-02  2.2172144636896E-02  0.0000000000000E+00
   375  3.7400000000000E+00  2.1856552410680E-02  2.1856688642170E-02  0.0000000000000E+00
   376  3.7500000000000E+00  2.1545459445411E-02  2.1545594077249E-02  0.0000000000000E+00
   377  3.7600000000000E+00  2.1238671754654E-02  2.1238804808705E-02  0.0000000000000E+00
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   379  3.7800000000000E+00  2.0637790629788E-02  2.0637920592340E-02  0.0000000000000E+00
   380  3.7900000000000E+00  2.0343587887407E-02  2.0343716335501E-02  0.0000000000000E+00
   381  3.8000000000000E+00  2.0053471797755E-02  2.0053598751768E-02  0.0000000000000E+00
   382  3.8100000000000E+00  1.9767389169894E-02  1.9767514649853E-02  0.0000000000000E+00
   383  3.8200000000000E+00  1.9485287393087E-02  1.9485411418671E-02  0.0000000000000E+00
   384  3.8300000000000E+00  1.9207114433818E-02  1.9207237024369E-02  0.0000000000000E+00
   385  3.8400000000000E+00  1.8932818832726E-02  1.8932940007253E-02  0.0000000000000E+00
   386  3.8500000000000E+00  1.8662349701446E-02  1.8662469478635E-02  0.0000000000000E+00
   387  3.8600000000000E+00  1.8395656719368E-02  1.8395775117586E-02  0.0000000000000E+00
   388  3.8700000000000E+00  1.8132690130317E-02  1.8132807167622E-02  0.0000000000000E+00
   389  3.8800000000000E+00  1.7873400739156E-02  1.7873516433299E-02  0.0000000000000E+00
   390  3.8900000000000E+00  1.7617739908314E-02  1.7617854276750E-02  0.0000000000000E+00
   391  3.9000000000000E+00  1.7365659554250E-02  1.7365772614139E-02  0.0000000000000E+00
   392  3.9100000000000E+00  1.7117112143844E-02  1.7117223912062E-02  0.0000000000000E+00
   393  3.9200000000000E+00  1.6872050690736E-02  1.6872161183879E-02  0.0000000000000E+00
   394  3.9300000000000E+00  1.6630428751601E-02  1.6630537985989E-02  0.0000000000000E+00
   395  3.9400000000000E+00  1.6392200422363E-02  1.6392308414051E-02  0.0000000000000E+00
   396  3.9500000000000E+00  1.6157320334374E-02  1.6157427099149E-02  0.0000000000000E+00
   397  3.9600000000000E+00  1.5925743650523E-02  1.5925849203919E-02  0.0000000000000E+00
   398  3.9700000000000E+00  1.5697426061317E-02  1.5697530418614E-02  0.0000000000000E+00
   399  3.9800000000000E+00  1.5472323780910E-02  1.5472426957140E-02  0.0000000000000E+00
   400  3.9900000000000E+00  1.5250393543089E-02  1.5250495553044E-02  0.0000000000000E+00
<INPUT>
#
#ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
#scalar-relativistic version 4.0.1 06/04/2019
#
#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
  Be  4.00    0    2       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    1
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.85168  -3.90326    4    8   7.57154
    1   1.79524   0.10000    4    9   5.11266
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.50012      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.69710
    1    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    0   0.00000   0.00000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    4.0000    0.0100
#
# TEST CONFIGURATIONS
# ncnf
    0
# nvcnf
#   n    l    f
</INPUT>

<INFO>
# *********************************************************************************************** #
# Copyright (c) 2022 Material Physics & Mechanics Group, Georgia Tech                             #
# Distributed under GNU General Public License 3 (GPL) (https://www.gnu.org/licenses/)            #
# Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, and Phanish Suryanarayana.             #
# "Soft and transferable pseudopotentials from multi-objective optimization."                     #
# Computer Physics Communications 283 (2023): 108594. (https://doi.org/10.1016/j.cpc.2022.108594) #
# Acknowledgment: U.S. Department of Energy (DOE), Office of Science (SC): DE-SC0019410           #
# *********************************************************************************************** #
# Ecut (1e-3 Ha/atom accuracy):  22 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  26 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.33 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.30 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>