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L)J<H~(*fUHcHSHH(9tDAMcB<!utHHcH9r H[]DHH< H[]H)ʾ 'f.@ NB Ht8 uHhBÐffff. hB Ht8 uHNBÐffff.<0t1<1t-<2t)<3t%<4t!<5t<6t<7t<8t<9DfAWAAVIAUIATL%HL UH-HL SL)1HH&HtLLDAHH9uH[]A\A]A^A_ff.HHusage: vdb2upf "file-to-be-converted"vdb2upfoldformatted.UPF('Output PP file in UPF format : ',a)unknownDvdb2upf.f90vanderbilt.f90nnlzpswwnlpseepsrinner_rcbetaqfunc_ddd0dddqqq_lll_eeeqfcoef_iptypevloc_rho_atc_rho_at_vlocrab_wfelsepseulchinnsrcutrcutuselswocwlchiwrabrho_atcvloc0ikk2lllbetardionqqqqfuncrinnerqfcoefrho_atInteger overflow when calculating the amount of memory to allocateAttempting to allocate already allocated variable '%s'At line 44 of file vanderbilt.f90Allocation would exceed memory limitAt line 62 of file vanderbilt.f90At line 74 of file vanderbilt.f90At line 79 of file vanderbilt.f90At line 80 of file vanderbilt.f90At line 81 of file vanderbilt.f90At line 82 of file vanderbilt.f90At line 83 of file vanderbilt.f90At line 84 of file vanderbilt.f90At line 85 of file vanderbilt.f90At line 86 of file vanderbilt.f90At line 97 of file vanderbilt.f90At line 101 of file vanderbilt.f90At line 104 of file vanderbilt.f90At line 110 of file vanderbilt.f90At line 114 of file vanderbilt.f90At line 120 of file vanderbilt.f90At line 146 of file vanderbilt.f90At line 166 of file vanderbilt.f90At line 176 of file vanderbilt.f90At line 181 of file vanderbilt.f90At line 182 of file vanderbilt.f90At line 183 of file vanderbilt.f90At line 184 of file vanderbilt.f90At line 185 of file vanderbilt.f90At line 186 of file vanderbilt.f90At line 187 of file vanderbilt.f90At line 188 of file vanderbilt.f90At line 200 of file vanderbilt.f90At line 206 of file vanderbilt.f90At line 209 of file vanderbilt.f90At line 215 of file vanderbilt.f90At line 219 of file vanderbilt.f90At line 226 of file vanderbilt.f90At line 255 of file vanderbilt.f90At line 256 of file vanderbilt.f90At line 257 of file vanderbilt.f90Attempt to DEALLOCATE unallocated '%s'At line 267 of file vanderbilt.f90At line 287 of file vanderbilt.f90At line 315 of file vanderbilt.f90At line 318 of file vanderbilt.f90At line 320 of file vanderbilt.f90At line 324 of file vanderbilt.f90At line 326 of file vanderbilt.f90At line 329 of file vanderbilt.f90At line 331 of file vanderbilt.f90At line 334 of file vanderbilt.f90At line 335 of file vanderbilt.f90At line 337 of file vanderbilt.f90At line 339 of file vanderbilt.f90At line 341 of file vanderbilt.f90At line 343 of file vanderbilt.f90At line 345 of file vanderbilt.f90At line 347 of file vanderbilt.f90At line 350 of file vanderbilt.f90At line 354 of file vanderbilt.f90At line 356 of file vanderbilt.f90At line 357 of file vanderbilt.f90At line 359 of file vanderbilt.f90At line 361 of file vanderbilt.f90At line 363 of file vanderbilt.f90At line 365 of file vanderbilt.f90At line 367 of file vanderbilt.f90(a)Pseudopotential successfully read(a20,3f15.9)("Generated using Vanderbilt code, version ",3i3)("Author: unknown Generation date:",3i5)("Automatically converted from original format")(i1,a1)WARNING: verify info on atomic wavefunctionsI got this exfactI got the PBEsol correctly("convert: wrong xc in pseudopotential ",f12.6)?@@@@@-DT!)@-DT!)@-DT!)@write_upf.f90(//a12)(1p4e19.11)(a13)("write_pseudo_rhoatom: error writing pseudopotential file")(//a10)(a2,i5,f6.2,t24,a)Wavefunction(a11)("write_pseudo_pswfc: error writing pseudopotential file")(//a13)(t3,a9)(2i5,t24,a)Beta L(i6)(t3,a10)(t3,a8)(1p,i5,t24,a)Number of nonzero Dij(1p,2i5,e19.11)US(i5,a) nqf. If not zero, Qij's inside rinner are computed using qfcoef's(t5,a11)(i5,1pe19.11)(t5,a12)(3i5,t24,a)i j (l(j))(1pe19.11,t24,a)Q_int(a14)("write_pseudo_nl: error writing pseudopotential file")("write_pseudo_local: error writing pseudopotential file")(//a9)(a10)("write_pseudo_nlcc: error writing pseudopotential file")(t3,a6)(t3,a7)("write_pseudo_mesh: error writing pseudopotential file")(4a5)(//a11)(t3,i2,t24,a)Version Number(t3,a,t24,a)ElementNC(a5,t24,a)Norm - Conserving pseudopotentialUltrasoft pseudopotential("write_pseudo_header: unknown PP type ",A)(l5,t24,a)Nonlinear Core Correction(a,t24,a4,a) Exchange-Correlation functional(f17.11,t24,a)Z valenceTotal energy(2f11.5,t24,a)Suggested cutoff for wfc and rho(i5,t24,a)Max angular momentum componentNumber of points in meshNumber of Wavefunctions, Number of Projectors(a,t24,a2,a3,a6) Wavefunctionsnllocc(a12)(t24,a2,i3,f6.2)("write_pseudo_header: error writing pseudopotential file")(a9)(a)(i5,t14,a)The Pseudo was generated with a Full-Relativistic CalculationThe Pseudo was generated with a Scalar-Relativistic CalculationThe Pseudo was generated with a Non-Relativistic CalculationLocal Potential cutoff radius(a2,2a3,a6,3a19) pnRcutRcut USE pseu(a2,2i3,f6.2,3f19.11)("write_pseudo_comment: error writing pseudopotential file")("*** PLEASE TEST BEFORE USING!!! ***")("review the content of the PP_INFO fields")-q=read_upf.f90No blockscan_begin(a) ")(a)(A,": reading file name ",A)(A,": file not found")(A,": too many arguments ",i4)inpfile.f90abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ; L9 , $<dL1R܉T܋ $\L |Lܿ |  ,l  \d l| \   , | , \ D <\     ,\ | ll 4 L <d|l\D\L|!L$&l(),4<00:DdD#XeBEE E(H0H8M@l8A0A(B BBB$@`@p P@ A=b=bo@ @@ Y @b0 @@ o@oo@>b@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@@@@@@@@@&@6@F@V@f@v@@@SPDFNOGCP86 GGC BLYPPBC HCTHTPSSB3LPPSC PBE METAM6LCQ2DCNOGXB88 GGX PBX RPB HCTHOPTXTPSSPB0XB3LPPSX WCX HSE RW86PBE METAC09XSOX M6LXQ2DXNOX SLA SL1 RXC OEP HF PB0XB3LPKZK NOC PZ VWN LYP PW WIG HL OBZ OBW GL B3LPKZK  GCC: (Ubuntu 4.8.5-2ubuntu1~14.04.1) 4.8.5GCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4<@ @, @y,O`@6,h@@A5,A ,A,A%,A,4A,/0A,PAr,AW T @ AWAxAz\@ Dh@U  A @ D @U Ac @-D @U MAT (AQ  AR7X%@!LU Tw@9kUwT \@JU|@ U| @I@!U Tw@ZU|6$ $ &1|6$ $ &0.(@|7U|TvQ||RwX4Y `A&@OUvw@hU|@?U|TsQ @XU| @JU|Z @ U|c @gU0T0 @{UsTvQ| @Us|"T Q |  I % (I@#(D(9@UUTT@U7T A @* zuA$JL!I9I/XJYY_;I(&I,#088I@IDHPCIX'I\\`hIpbItxIOIpadII^I1INIIm(I"III I 8I(8I0Zt~ssu 5IIIfsbrec(08@HIPITX` IhIl pu xidxposmI'I\^IIpadOI1INI A811  bXsI2g{Iss1 Q[ssIuI!IFW @y @ !!H ri%j%k%lp%&v?{!@XCU{!@;EU{TsQ4A!@;E U{TsQ4a!@VE#U{!@XC<U{!@eEgU{T DbQD!@~EU{T CbQ8!@~EU{T CbQ8!@~EU{T PIbQ8!@;EU{T GbQ4"@;E>U{T HbQ4"@~EiU{T `IbQ8%"@VEU{"@EU*s2$0v $0+(1s2$0v $0+(0.(?#@EU*s3$0v $0+(1s3$0v $0+(0.(#@E\UDv0v $0*(3$0v $0+(1v0v $0*(3$0v $0+(0.(K$@XCuU{$@;EU{Q4$@~EU{Q8$@~EU{Q8$@VEU{%@XCU{/%@;E,U{T HbQ4C%@;EWU{T @IbQ4W%@~E|U{T{Q8a%@VEU{ %@E z&@E&@XCU{0'@~EU{Q8D'@VEU{r'@XCU{'@;ECU{T `HbQ4'@;EnU{T HbQ4'@VEU{ (@E )@E*@EU*|3$0s $0)(1|3$0s $0)(0.(y+@E!U*|3$0s $0)(1|3$0s $0)(0.(8,@EgU03$0s $0)(13$0s $0)(0.(,@EU*}2$0s $0)(1}2$0s $0)(0.(-@EU*}3$0s $0)(1}3$0s $0)(0.( .@E/@XC U{/@;E+U{Q4/@~EIU{Q8@0@~EgU{Q8Q0@VEU{0@XCU{0@~EU{Q81@~EU{Q801@~EU{Q81@~EU{Q8H2@~E/U{Q8]2@VEHU{2@EU&}0s $0+(1}0s $0+(0.( J3@E3@XCU{3@~EU{T EbQ84@~EU{Q8'4@VE U{c4@EL U*s3$0v $0+(1s3$0v $0+(0.(4@XCe U{4@~E U{T EbQ85@VE U{.5@XC U{}5@~E U{Q85@VE U{6@E9 U*s3$0v $0+(1s3$0v $0+(0.(6@Eu U&s0v $0+(1s0v $0+(0.(7@XC U{T7@~E U{Q8e7@VE U{7@XC U{7@~E U{Q87@VE U{[8@EU U*s3$0v $0+(1s3$0v $0+(0.(8@E U&s0v $0+(1s0v $0+(0.(j9@XC U{9@~E U{Q89@VE U{9@XC U{3:@~E U{Q8D:@VE1 U{:@XCJ U{:@;Eu U{T PHbQ4:@VE U{ &;@E;@XC U{<@~E U{Q8-<@VE U{o<@E U{<@E0 U{T pAQ!<@EI U{<@Eh U A3=@XC U{x=@;E U{Q4=@;E U{T GbQ4=@~E U{T GbQ8=@VEU{=@XC'U{>@;ERU{T HbQ4 >@VEkU{?>@XCU{>@~EU{Q8>@VEU{?@EU AT AQ HA.?@E-U AT AQ CAD?@EfU AT AQ AZ?@EU AT AQ >Ap?@EU AT AQ 6A?@EU pAT AQ -A?@EJU HAT AQ 'A?@EU  AT AQ  A?@EU AT AQ A?@EU AT AQ A@@E.U AT AQ A@@EgU AT AQ  A.@@EU XAT AQ AD@@EU 0AT AQ AZ@@EU AT AQ A@@EKU AT AQ A@@EU AT AQ A@@EU AT AQ A@@XCU{@@;EU{T pHbQ4A@;E,U{T HbQ4#A@~EWU{T hIbQ87A@;EU{T 0IbQ4KA@;EU{T GbQ4_A@~EU{T FbQ8iA@VEU{A@E*U @AT AQ AA@EcU @AT AQ AA@FU hA A@EU @AT AQ A %   ? Jbddd#? `Jb @ JbeeeY<@ Ib cR`@ Ib U D v? hIb _ N v? `Ib   v? PIb @ DIb  @Ib K: 0Ib @ Ib  Hb  @ Hb  Hb yh Hb ? . @ Hb 5$ Hb :) Hb  pHb A 0  `Hb  PHbnlc @Hb  0Hb @ Hbnpff Gb   Gb )   Gb u d v? Gb Q@A `Gb [A Gb  A Fb {v? Fbr_ A `Fb A  Fbrc#B Eb v? Eb GB Eb nkB `Eb ziv? PEb B  Eb v? Eb cRB Db I8B Db k Z B Dbwf B  Db 4C Cbz_v? Cbzp_ v? CbuA@L!R.H yij k lp v?{B@XC$U{&B@;EHU{TsQ4QB@;ElU{TsQ4oB@VEU{B@XCU{B@eEU{T DbQDB@~EU{T CbQ8B@~EU{T CbQ8C@~EJU{T PIbQ8C@VEcU{9C@XC|U{MC@;EU{T GbQ4aC@;EU{T HbQ4uC@~EU{T `IbQ8C@VEU{C@EVU*s2$0v $0+(1s2$0v $0+(0.(D@EU*s3$0v $0+(1s3$0v $0+(0.(4E@EUDv0v $0*(3$0v $0+(1v0v $0*(3$0v $0+(0.(E@XC U{E@;E'U{Q4F@~EEU{Q8+F@~EcU{Q85F@VE|U{lF@XCU{F@;EU{T HbQ4F@;EU{T @IbQ4F@~EU{T{Q8F@VE)U{ G@E G@E4H@XC\U{yH@~EzU{Q8H@VEU{H@XCU{H@;EU{T `HbQ4H@;EU{T HbQ4H@VEU{ I@E J@EL@EuU*|3$0s $0)(1|3$0s $0)(0.(L@EU*|3$0s $0)(1|3$0s $0)(0.(M@EU03$0s $0)(13$0s $0)(0.(9N@E; U*}2$0s $0)(1}2$0s $0)(0.(N@E{ U*}3$0s $0)(1}3$0s $0)(0.( O@EP@XC U{ Q@;E U{Q4Q@VE U{@Q@XC U{dQ@~E!U{Q8Q@~E-!U{Q8Q@VEF!U{#R@XC_!U{RR@~E}!U{Q8R@~E!U{Q8R@~E!U{Q8S@~E!U{Q8S@~E!U{Q8S@VE"U{2T@EJ"U&}0s $0+(1}0s $0+(0.( T@E;U@XCp"U{OU@~E"U{T EbQ8U@~E"U{Q8U@VE"U{U@E#U*s3$0v $0+(1s3$0v $0+(0.(gV@XC+#U{{V@~EV#U{T EbQ8V@VEo#U{V@XC#U{V@~E#U{Q8W@VE#U{W@E#U*s3$0v $0+(1s3$0v $0+(0.(X@E;$U&s0v $0+(1s0v $0+(0.(X@XCT$U{X@~Er$U{Q8X@VE$U{Y@XC$U{XY@~E$U{Q8kY@VE$U{Y@E%U*s3$0v $0+(1s3$0v $0+(0.(yZ@EW%U&s0v $0+(1s0v $0+(0.(Z@XCp%U{/[@~E%U{Q8@[@VE%U{n[@XC%U{[@~E%U{Q8[@VE%U{\@XC&U{'\@;E;&U{T PHbQ41\@VET&U{ \@E,]@XCz&U{]@~E&U{Q8]@VE&U{]@E&U AM^@XC&U{^@;E'U{Q4^@VE 'U{^@XC9'U{^@;Ed'U{T GbQ4^@~E'U{T GbQ8_@VE'U{>_@XC'U{R_@;E'U{T HbQ4\_@VE(U{_@XC(U{_@~E<(U{Q8_@VEU(U{h`@E(U AT AQ HA~`@E(U hAT AQ CA`@E)U hAT AQ A`@E9)U @AT AQ >A`@Er)U @AT AQ 6A`@E)U AT AQ -A`@E)U AT AQ 'Aa@E*U AT AQ  Aa@EV*U AT AQ AU AT AQ jA@EN>U XAT 0AQ A@E>U AT AQ oA@E>U{@nF>U{T PIbQ8@E>U{@F?U~T~4@E;?U XAT 0AQ A J@EU AT AQ cAupf  ??? 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