ELF$4(UWVS$D$4D$8 D$0D$,$D$\D$`UD$,D$,$D$4D$8D$\UD$0D$,$D$`D$,D$,$D$3D$\D$,$D$4D$8D$\UD$0D$,$D$`D$,D$,$D$;D$D$,$D$4D$8D$\D$0D$,$D$`XD$,D$,$pt$$ ǀD$(;t$-=T5iP tD$(~D$x&AiPTV/H$  f؍;\$\$(I-=T5iP̌ČQ 95T$$Z$vAɍ|F| $D$4D$8%D$\D$` D$,D$0D$,$D$,$D$D$D$(D$D$,$D$D$,$D$ D$D$$D$D$,$D$D$,$D$D$$D$D$D$,$D$ D$D$,$D$,$>$DFt&$DF؋$D$4D$8)D$\D$`D$,D$0D$,$D$,$D$D$D$(D$D$,$D$D$,$D$ D$D$$D$D$,$D$D$,$D$D$$D$D$D$,$D$D$$D$4D$8>D$,D$0D$,$D$,$D$4D$8@D$\$D$0D$,$D$`D$,D$,$D$BD$,D$,$D$4D$8BD$\$D$0D$,$D$`D$,D$,$D$6D$pD$,$D$4D$8DD$\$D$0D$,$D$`D$,D$,$D$*D$D$,$D$4D$8FD$\$D$0D$,$D$`D$,D$,$D$<D$D$,$D$4D$8GD$\D$0D$,$D$`D$,D$,$D$*D$D$,$D$4D$8HD$\D$0D$,$D$`D$,D$,$D$CD$DD$,$D$4D$8ID$\D$0D$,$D$`D$,D$,$D$+D$D$,$5 D$ViPD$~mV Ft$VL$FF 1Ƀ ސt&\_DZT$\_DX;L$uыt$P;|$rČ[^_]assign_paw_radii_to_species.f90(/,5x, '-------------------------------------------------------------------------')(5x,a) Attributing the PAW radii for the absorbing atom [units: Bohr radius](5x, '-------------------------------------------------------------------------', /)(8x,a)NB: The calculation will not necessary use all these r_paw values. - For a edge in the electric-dipole approximation, only the r_paw(l=1) values are used. - For a K edge in the electric-quadrupole approximation,(8x,a,/) only the r_paw(l=2) values are used. - For a L2 or L3 edge in the electric-quadrupole approximation, all projectors (s, p and d) are used.(8x,a,i2,a,i2,a,f5.2,a)PAW proj: r_paw(l=)= (1.5*r_cut) (set to 1.5)ư>MbP?@@?? xVA $nantnl mnrcnrsrcI@i&$psi(0.### 8 P77    O _܋    $ :< _&` ]  x q، ܌ 6    U - d8 O _ 0.### 40.### 40.### 40.### 40.&### 4## #40.]### 8## #80.### 8## #80.### @0.### @0. ### 80.-### 80.d### 8## #80.### 4 ~A    ^ 6 rc  il }j }nt NF t}Z0 3t}F It}? pt}t\t30 t}F t}? t}tt;$0 t}aF t}m0 t}/F t}K? At}tt8gX et}t}t4? t}tt:X t}t}t4? t}tt2q t}tw3$"t8? t}0 *t}F @t}? ft}tt8X t}t}t4? t}tt:X t}t}t43? t}tt2Uq #t}tw3$"t8F 9t}0 Ot}F et}? t}t,tB0 t}LF t}h? t}tpt6t0 t}F t}? 2 t}tt*0 H t}F ^ t}2? t}tt<>0 t}{F t}? t}tt*0 t}F  t}? + t}tDtC0 A t}EF W t}a? ~ t}tt+m0 t}     @o E 0. ## #  P- nspF EDvU U ![ "T #3 $rec #D $# (#e ,#q 0#4#8#8 <# @#LD#H#c L$u P%id %pos & & &:$& (& ,&,0&4&  8%pad <&@&[D&~ H&. L&#P' ##0# #5 #g#P # ! !! ) " " '? U X U q U (y U % B  : ;  : ; I8 $ >   : ; I8 POI!"/Q  : ;  : ; I8  I !I/ !I/ I POI.?: ; n@B: ; : ; : ; I: ; I4: ; I4: ; I1B1!I" / <4: ; nI?<PNI4: ; nI?<.?< I! I" # I8 $ I8 % I8& I8' (.?<r1qVr16 WA 6 assign_paw_radii_to_species.f90 tX tDeeI#~"'Kc;%eKf"=;Ih>#t">9eeeeeee;>/V. xspectrapaw_nbetalogical(kind=4)sign_lendecimal_lenadvance__xspectra_MOD_xiabsgipaw_ncore_orbitallabelpaw_gipaw_gfortran_transfer_real_writeiolengthgipaw_ae_vlocpaw_reconfilenamepaw_nhinteger(kind=4)paw_nlnamelist_name_leninteger(kind=8)paw_lllxiabsinternal_unitgipaw_core_orbitalunitlinepaw_iltonh__paw_gipaw_MOD_paw_reconpaw_tabiomsg_lenformatpsphiassign_paw_radii_to_species_iostatformat_lensizetype_gfortran_st_write_doneasynchronouspaw_indvcharacter(kind=1)kkpsiaephiadvance_len/mit/espresso_v6.1/i386_ubuntu1404/qe-6.1/XSpectra/srcstdoutinternal_unit_lenntypnamelist_namevloc_presentroundions_baseflagsdelim_lenpaw_nhtolpaw_nhtomr_pawwfc_labelasynchronous_len__st_parameter_common_gfortran_transfer_integer_writedelimpaw_recon_typegipaw_data_in_upf_filegipaw_ps_vloc__io_global_MOD_stdoutround_leninternal_unit_descGNU Fortran 4.8.4 -mtune=generic -march=i686 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/i686-linux-gnu/4.8/fincludedecimalpaw_tab_d2yassign_paw_radii_to_speciesc_charsigncommonblank_lensizeat_wfciomsgassign_paw_radii_to_species.f90_gfortran_st_write_gfortran_transfer_character_writepaw_betarreal(kind=8)pad_len__ions_base_MOD_nspblank__st_parameter_dtgipaw_core_orbital_lpaw_kkbetaio_globalGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4zR| <A AA AAF2 AA AA.symtab.strtab.shstrtab.rel.text.data.bss.rodata.str1.4.rodata.rodata.cst8.rodata.cst4.rel.debug_info.debug_abbrev.debug_loc.rel.debug_aranges.rel.debug_line.debug_str.comment.note.GNU-stack.rel.eh_frame@A  *% + 02 ? G T e a . qCH6~  3  30y!0",""X 3 #' )%    !A >Uhassign_paw_radii_to_species.f90assign_paw_radii_to_species___io_global_MOD_stdout_gfortran_st_write_gfortran_st_write_done_gfortran_transfer_character_write__ions_base_MOD_nsp__paw_gipaw_MOD_paw_recon__xspectra_MOD_xiabs_gfortran_transfer_integer_write_gfortran_transfer_real_write 5JV[cs %-=]in5[a +BGcz ck{*/Qarz (H_dpu}).:?GWw !AX]in| " ' )8GVet ( 4Jdq6Bf+A[g$:Pf & 3 I _ y         , B X r         $ . 7 = G \ g {              ' 2 = H S i t              % , 1 @ Y r  C