ELFL4(UWVS|$D$D$4\$D$$D$($D$D$LD$ D$PD$$D$ D$$$D$!D$D$4$D$$D$(D$D$LD$P D$$D$ ҍr 6v9t, D$$ʉT$D$t͉$D$t}D$D$4$D$$D$(D$ D$D$LD$PD$$D$ D$#$$D$t |[^_]É$D$$D$(D$L0D$P<D$D$ $D$$UWVS|D$D$4$\$D$$D$(rD$$D$LlD$PD$ D$$D$ D$s$$D$QHL$ t&D$D$4$D$$D$(uD$$D$L}D$PD$ D$$D$$PD$D$$D$D$$ЉD$D$ D$$$D$KD$D$4$D$$D$(wD$$D$LD$P D$ D$$xB&9t4D$$‰D$D$tʼn$D$;t$ PD$D$4$D$$D$(yD$$D$LD$PD$ D$$D$ D$$$D$t |[^_]É$D$$D$(|D$LD$P:D$D$ $D$$UWVSD$=D$DGD$9|$@c&C9މD$@Iá vƍD$$ $\$$D$$D$(D$\D$`D$HD$ D$LD$PD$PD$$D$D$$D$$D$$@D$D$E$D$$|[^_]Ðt&$ucUt&ts}$TPSSvu}~$BLYPyt&_EK$BP F}.$PBE )t& }$PBESv$}$PW91$B88 fUWVS$\$Ll$0D$TD$X$D$0l$dD$PD$|DŽ$D$L$D$ D$$$D$L$D$TD$XD$PD$0l$dD$|DŽ$ D$L$D$D$$D$D$$$D$L_$D$TD$XD$PD$0l$dD$|DŽ$ D$L$D$D$$D$D$$$D$LD$ D$D$$4D$ }D$D$$D$T$D$XD$0D$Pl$dD$|DŽ$ D$L$D$D$}$D$D$5$$D$L$D$TD$XD$PD$0l$dD$|{DŽ$ D$L$D$D$$D$D$$$D$L`D$8t$4D$D$D$t$D$ D$D$$D$,$D$TD$XT$PD$0l$dD$|DŽ$ D$L$D$,D$$D$D$t$$D$ D$$$D$Lw$D$TD$XD$PD$|DŽ$D$LD$D$$D$ D$$$$D$TD$XD$PD$|DŽ$D$LD$D$$D$ D$$$$D$TD$XD$PD$|DŽ$D$LD$D$$D$D$$D$ D$$$$D$TD$XD$PD$| DŽ$ D$LD$D$$D$D$*$$$D$TD$XD$PD$| DŽ$ D$LD$D$$D$D$H$$$D$TD$XD$PD$0l$dD$| DŽ$ D$L$D$D$$D$D$$D$-D$`$$D$L$D$TD$XD$PD$0l$dD$|DŽ$D$L$D$D$$D$D$$D$D$$D$D$$$D$LHL$,t&$D$TD$XD$PD$|DŽ$D$LD$$PD$D$$D$D$$ЉD$$;t$,F$D$TD$XD$PD$0l$dD$|DŽ$D$L$D$ D$$$D$LtĬ[^_]f$D$TD$XD$PD$0l$dD$|DŽ$ D$L$D$D$$D$!D$$D$TD$XD$|DŽ$;D$LD$P$D$$$D$XD$|PDŽ$+D$LD$PD$D$$fUWVS|$D$D$4\$D$$D$(_E$D$D$LD$ D$PD$$D$ D$$$D$D$D$4E$D$$D$(aD$ D$D$LD$PD$$D$PD$$$D$4D$D$4E$D$$D$(bD$ D$D$LD$PD$$D$PD$$$D$D$D$4E$D$$D$(cD$ D$D$LD$PD$$D$PD$$$D$FD$D$4E$D$$D$(qD$ D$D$L*D$PD$$D$D$$D$D$$$D$hD$D$4E$D$$D$(uD$ D$D$LD$PD$$D$D$$D$D$$D$D$$D$D$$D$D$"$D$D$&$D$D$-$$D$r=St&E$D$$D$(xD$ D$L3D$PD$ D$$HD$ D$$D$ D$$D$ D$$ȉD$ D$$ȉD$ D$$ȉD$ D$$ȉD$$9D$D$4E$D$$D$(|D$ D$D$LD$PD$$D$ D$$$D$|[^_]ÍD$D$4E$D$$D$(lD$ D$D$LD$P D$$D$D$$D$<D$$$D$$D$$D$(~D$LHD$P<D$D$ $D$$t&D$D$4E$D$$D$(fD$ D$D$LD$P D$$D$D$$D$=D$,t&D$D$4E$D$$D$(iD$ D$D$LD$P D$$D$D$$D$?D$lt&Sx$$$$t$$$$$\$$D$$D$(LD$LD$P'D$D$ $$D$$D$(MD$LD$P,D$D$ $x[NOGCP86 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 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=2/oH3Gios}ir[,tss.tstt<{.ts,ts.tst8#. tsu, ts.Etst#t=.Zts,ots.ts .t0t0 1 upf & ,(chi73( ) H) $/) ( (els?) Ce) A:) A( ) H& 6!  { !-[) ?) )lll-* g  nnsV=*nqf1 ]1 nvT Xioca*ocwH*psdc) c) 4* k2+qqq2M+r".+rab"+ ( &X+ Q+rel :, J%8, 2l\, (,zp}(e0leiosp}irpnbp>[,tss.8tstst:{.Mts,bts.}tst2=.tst4a.tst8y.tstt<.ts,ts,.tst8;.2ts,Gts.ltstt;.ts,ts.ts 0.t0t0O0"i|ios|ir]lp|mb}nnb}nd},tu.tutt=.tu/,tuG.tutt9O. tu, tu.A tut}t4.\ tut4. tutt9. tu], tu. tut4. tu, tuD. tut8Z. tu,5 tu.Z tut*t:.o tuD , tu\ . tut;t8d . tu , tu . tut}t4 . tutPtE .0 tu ,E tu .h tut}t4 . tut}t4 . tut8 . tuJ , tuR . tuf . t0t0 , tu .9 tutet9 .N tu$ .| t2tt2t }| , tu . tutt8 . tu , tu. tutt4,.+ tuttF4.@ tu,U tu.z tutt;. tu", tui. tutwt4. tut8. tu, tu.0tutt<.Etu,Ztu.}tut}t4.tut}t46.tut4N.tutt<V.tu, tu.%tut8.Jtut:t5._tuj,ttu.tut8.tu=,tuU.tut?t;].tu,tuX.#tut8g.8tu,Mtu.rtutJt<.tuz,tu.tut t9.tu,tu.tut[t> .tuq@ios}ir,ts.tstt:.ts,tsT.tst8c.ts,ts.?tstt;.Tts$,its,.~ts @.t0t0@ios}ir,ts.tstt9.0ts,EtsT.`tst8c.uts,ts.tstt:.ts$,ts,.ts @.t0t0_1@pȢ›ios̛}ir̛,fts.tstIt9.ts ,ts%.tstYt6-.ts,ts.tst8.4ts',Its?.ntstft7G.ts,ts.tstmt8.ts,tsV.tst8e.ts,,ts.Qtstut9.fts%,{ts=.tst~t:E.ts,ts.ts .t0t0U0! dftI(|ios|nb9K(|!,uts!.tstt;!.ts",ts".tstt43".tstt>;".#ts",8ts".]tstt2".tstt7".ts".t2tt2t (#.t2tt2t }u#,ts#.-tst}t2#.Bts#.Wts$,lts$ /tstt42$.tsttI:$.ts$&tttt t|tvtDt4$,2ts$.Vtst|tD%.xtstvt4%.tstt #%.tsl%,ts%.tstt8%.tstt9%.'ts%,<ts%.atstt8 &.tstt<&.tsN&,tsf&.tstt8~&.tstt8&. tstt &.5ts&,Jts&.otstt4'.tst*tN'.tsH',ts`'.tstt4x'.tstHtH'.ts',2ts'.Wtstt4'.|tstt4 (.tst`t-(.tsj(,ts(.tstt>(.tstt2(.;tstt1(.`tstt3(.uts9),ts]).tst2).tst4).tst8).ts),ts*.*tstt<*.?ts}*,Tts*.ytstt2*,ts*.ts+.t0t04+,ts L+.tstt2<SxP+|t%YSios]}nb]p+,Z ts+. tstt9+. ts#,, ts;,. tsttPC,. ts,, ts,.!tsttP,.4!ts-,I!ts)-.o!tsttP1-.!ts-,!ts-.!tstt8-.!tsttM-.!tsU., "tsm..2"tstt2..W"tstt3..|"tstt1.."tstt3.."tst"t4.."tst&t7..#tst-t6/.%#tsg/,:#ts/.U#tst2/.p#tst4/.#tst4/.#tst80.#tst8?0.#tst8f0.#tst8n0. $ts0,!$ts0.F$tstt:0.[$ts?1,p$tsW1.$tstt4o1.$tsw1.$ts1,$ts1.$ts1.%t0t0'2,%ts?2.=%tstt42,R%ts 2.tstt4= 2&?=2%ts2%ts2%ts3%ts3" &ts3!&ts36&ts+3&L&tc3,a&tsk3.v&ts3,&ts 3.ts ~I(6H I(K(ad M(exc^((o(R(@<,'tsY.'tst4v.'tst4.'tst4.'tst4.(tsnxcV ncc K(^( K(o(K(( K((0.(( ### 8 ## #8 -0.() ### 8 ## #8P0.(?) ### 8 ## #8!0.c)c) ### 2!0.c)) ### 2!0.() ### 8!0.) ### 4!0.) ### 4!0.* ### 4!0.=* ### 4!0.a* ### 4!0.(* ### 8!0.(* ### 80.(+ ### 8 ## #8 #(#,#$8 #4#8#080.(M+ ### 8 ## #8 #(#,#$80.(+ ### 8 ## #8!0.(+ ### 8!0.(+ ### 8!0.(+ ### 8!0.(, ### 8!0.(8, ### 8!0.(\, ### 8!0.(, ### 8!0.(, ### 8"q,#,$,%!T-&-'recb.&(i.$&i.(&jO.,&NO.0&D4&8&+O.<&:O.@&DD&}H&O.L'uo.P(id\.(posb.)O.) )$)O.())O.,)30)4)!O.8(padO.<)@)D)O.H)O.L)P*O.&&&O.& &}& O.&\.$U. $ $b.... ] ".#,#.#+".#,"f.#,#.#"-.#O.#"'.#,#.#, /##O.##O.-b#,#.#% B .?: ;n@B:: ;: ;I4: ;I4: ;I1B 1 $ >  : ;  4: ; nI?< 4: ; nI?4: ; nI?4G.?: ; n@B: ; I:: ; 4: ; I4: ; I4: ; I&I: ; I44: ;I': ;I ': ;I  I!I" /  PNI !"/Q!PNI".?<#I$ I% & I8 ' I8 ( I8) I8* + ,.?I<-.?<1U13U1XV 1 RW1_S *So1V%1%[U%1%[U1U#1#]U((1()V))v))V/+/1+/Z0VZ0n0vn0v0V3w$ write_upf.f90 tz]t,=r@P< gt4py@< (ywt;uyy W5;$(()'CTX{,Pu0v?uOhk?uk(.Lvs X&X tz]t,=r@T< tz]t,=r@K< tzr[,urr_,unn@<Jj\uJtY1[rJ{}<t}Eu0Eu0,$=u0Eu0Hqq90qqEuH=;q^EuJCe<O t{wwwٓ"Gu7H>:wkGu0@gGuGuTtz>HZ@@ngcxwrite_pseudo_pswfc_dftname__upf_MOD_iexchwrite_pseudo_mesh_format_lenwrite_pseudo_nlwrite_pseudo_meshwrite_pseudo_local_unitroundnlcc__upf_MOD_ntwfcqfcoefvloc0__upf_MOD_betar__upf_MOD_lmaxdftname_write_pseudo_nlcc_write_pseudo_rhoatomecutrhowrite_upf_v1___upf_MOD_nbetasize_gfortran_stop_stringelswdate_author__upf_MOD_nv_longnameqfunc_gfortran_st_writeasynchronous_lenwrite_pseudo_header___upf_MOD_ecutwfc__upf_MOD_etotpssign_lenround_lenline__upf_MOD_nlccwrite_pseudo_localblank_len__upf_MOD_ocblankdiondecimalinteger(kind=4)epseuwrite_pseudo_rhoatom_nqlc_gfortran_transfer_logical_write__upf_MOD_rcutusshortnamewrite_pseudo_pswfcrinnerlogical(kind=4)__upf_MOD_meshpseudotypedelim_lenounps__upf_MOD_elswcommon__upf_MOD_qqq__upf_MOD_ecutrhogradc__upf_MOD_r__upf_MOD_epseurho_atcgradxnwfssizetype_gfortran_transfer_real_writeigccfilename__upf_MOD_dionc_char__upf_MOD_generatednamelist_name__st_parameter_commonadvance_lenmeshigcxgeneratedwrite_pseudo_nlcc__upf_MOD_nqlc__st_parameter_dtdecimal_lenlchiinternal_unit_len__upf_MOD_nns_shortnamewrite_upf.f90iomsg_len__upf_MOD_qfcoefcharacter(kind=1)asynchronous__upf_MOD_rcloc_gfortran_transfer_character_writecomment__upf_MOD_rel__upf_MOD_lllwrite_upf_v1lchiwdelim_gfortran_transfer_integer_writeicorrformatwrite_pseudo_header__upf_MOD_nwfswrite_pseudo_comment_GNU Fortran 4.8.4 -mtune=generic -march=i686 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/i686-linux-gnu/4.8/fincludecorr__upf_MOD_igccikk2rcutadvance__upf_MOD_chietotps/mit/espresso_v6.1/i386_ubuntu1404/qe-6.1/upftools__upf_MOD_igcx_gfortran_st_write_donercloc__upf_MOD_lchi__upf_MOD_rho_at__upf_MOD_rho_atc__upf_MOD_lchiwrho_atiolengthpad_len__upf_MOD_psdinteger(kind=8)iomsg__upf_MOD_icorriexchwrite_pseudo_commentrcutus__upf_MOD_rcutlmax__upf_MOD_rinner__upf_MOD_zp_gfortran_compare_stringflagslongnamesignwrite_pseudo_nl___upf_MOD_qfuncntwfc__upf_MOD_pseudotypeecutwfc__upf_MOD_vloc0betar__upf_MOD_els__upf_MOD_nqfreal(kind=8)internal_unit__upf_MOD_ocwngcc__upf_MOD_ikk2internal_unit_descnamelist_name_len__upf_MOD_comment__upf_MOD_date_author__upf_MOD_rabnbetaiostatGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4zR| @AA AAF AA AAA @`0AA AAF AA AAA <0AA AAFAA AA@@AA AAF AA AAA @(@AA AAF AA AAA @l@pAA AAF  AA AAA @~AA AAF  AA AAF @0! 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