ELF=4(WVSp$D$$0t$4$|$D$(D$LD$ D$PKD$\$4$D$D$4$D$CD$4$D$D$4$D$D$4$D$C D$4$D$C@D$4$D$CHD$4$D$ChD$4$D$C`D$4$D$D$4$D$C0D$4$D$C8D$4$D$CPD$4$D$D$4$D$Chc`|$4$D$\$C8܃ܣ|$4$D$\$݃c0Chc`C8܃ܣ|$4$D$\$4$p[^_Ð\$$t$D$(D$LD$ D$PKD$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$t$$D$%\$t$$D$%\$t$$D$%%%\$$p[^_É'UWVS$$$$D$$D$4D$$D$`\$,$D$8D$,T$0$$D$4D$8T$0D$,$$D$4D$8T$0D$\LD$`=D$,D$t$$$$D$4D$8T$0D$\D$`=D$,T$D$$$$D$4D$8T$0D$\D$`=D$,VT$D$$$$D$4D$8T$0D$\ D$`=D$,T$D$$$$D$4D$8T$0D$\LD$`=D$,T$D$$$$D$4D$8T$0D$\D$`=D$,V@T$D$$$$D$4D$8T$0D$\D$`=D$,VHT$D$$$$D$4D$8T$0D$\ D$`=D$,VhT$D$$$D$8$D$4D$8D$0D$,$$D$4D$8D$0D$\LD$`=D$,F D$D$$$$D$4D$8D$0D$\D$`=D$,F0D$D$$$$D$4D$8D$0D$\D$`=D$,F8D$D$$$$D$4D$8D$0D$\ D$`=D$,D$D$$$$D$4D$8D$0D$\LD$`=D$,D$t$$$u|L$T$$D$4D$8D$0D$\ D$`*D$,$$D$4D$8D$0D$\ D$`*D$,$$D$4D$8D$0D$\ D$`YD$,D$D$$D$D$$D$$$D$4D$8D$0D$\@ D$`YD$,D$D$$D$D$$D$$t_tY$D$4D$8D$0D$\ D$`=D$,D$D$$$Č[^_]D$D$ D$\ D$` $y &\$,$D$8D$\D$0D$`ND$,D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$D$D$$$$D$4D$8D$0D$\D$`D$,D$ D$D$$ \$ D$D$$$&&S$A E؋A+A1ɃIȅt 9u\$,$D$4D$8%D$0D$\ D$`D$,T$%%\$D$D$$D$$D$D$$D$D$D$ D$$D$%\$ D$D$$D$$Ĉ[fD$݀@@@P@H݀݀݀@`@8@0@(@x@p@h@energies.f90(/,/ ,6X,' ETOT .... = ',F18.10,/ ,6X,' EKIN .... = ',F18.10,/ ,6X,' EHT ..... = ',F18.10,/ ,6X,' ESELF ... = ',F18.10,/ ,6X,' ESR ..... = ',F18.10,/ ,6X,' EH ...... = ',F18.10,/ ,6X,' EPSEU ... = ',F18.10,/ ,6X,' ENL ..... = ',F18.10,/ ,6X,' EXC ..... = ',F18.10,/ ,6X,' VXC ..... = ',F18.10,/ ,6X,' EVDW .... = ',F18.10,/ ,6X,' EHTE .... = ',F18.10,/ ,6X,' EHTI .... = ',F18.10,/ ,6X,' ENT ..... = ',F18.10,/ ,6X,' EBAND ... = ',F18.10,/ ,6X,' EXC-VXC ............................. = ',F18.10,/ ,6X,' EHTI+ESR-ESELF ...................... = ',F18.10,/ ,6X,' EBAND-EHTE+(EXC-VXC)+(EHTI+ESR-ESELF) = ',F18.10)(6X,' total energy = ',F18.10,' Hartree a.u.')(6X,' kinetic energy = ',F18.10,' Hartree a.u.')(6X,' electrostatic energy = ',F18.10,' Hartree a.u.')(6X,' eself = ',F18.10,' Hartree a.u.')(6X,' esr = ',F18.10,' Hartree a.u.')(6X,' pseudopotential energy = ',F18.10,' Hartree a.u.')(6X,' n-l pseudopotential energy = ',F18.10,' Hartree a.u.')(6X,' exchange-correlation energy = ',F18.10,' Hartree a.u.')(6X,' hartree energy = ',F18.10,' Hartree a.u.')(6X,' hartree ehte = ',F18.10,' Hartree a.u.')(6X,' hartree ehti = ',F18.10,' Hartree a.u.')(6X,' van der waals energy = ',F18.10,' Hartree a.u.')(6X,' emass kinetic energy = ',F18.10,' Hartree a.u.')(//' total energy = ',f20.11,' Hartree a.u.'/ ' kinetic energy = ',f14.5,' Hartree a.u.'/ ' electrostatic energy = ',f14.5,' Hartree a.u.'/ ' esr = ',f14.5,' Hartree a.u.'/ ' eself = ',f14.5,' Hartree a.u.'/ ' pseudopotential energy = ',f14.5,' Hartree a.u.'/ ' n-l pseudopotential energy = ',f14.5,' Hartree a.u.'/ ' exchange-correlation energy = ',f14.5,' Hartree a.u.'/ ' average potential = ',f14.5,' Hartree a.u.'//)(//' exx energy = ',F14.5,' Hartree a.u.'/ ' total energy with exx = ',F14.5,' Hartree a.u.' / ) sic without parameters? print_energies ('Sic contributes in Mauri&al. approach:')('--------------------------------------')(6X,' hartree sic_ehte = ',F18.10,' Hartree a.u.', 1X, 'corr. factor = ',F6.3)(6X,' sic exchange-correla energy = ',F18.10,' Hartree a.u.', 1X, 'corr. factor = ',F6.3)(6X,' external force energy = ',F18.10,' Hartree a.u.')(' *** TOTAL ENERGY : ',F14.8,/ ,' eband : ',F14.8,/ ,' eh : ',F14.8,/ ,' xc : ',F14.8,/ ,' eii : ',F14.8)  Y^utvmHtvtst8Htvtst8Htvtst8Htvtst8H"tvtst8HDtvts t8Hgtvtst8Htvtst8.Htvtst8EHtvtst8_Htvtst8vHtvts0t8H7tvts8t8HZtvtst8H}tvtst8Htvtwt8Htvtwt8=Htvtwt8Eatv^ tsH2tstt8HWtstt8H|tstt8Htstt8Htstt8Htstt81Htstt8IH5tstt8aHZtstt8yHtstt8Htstt8Htstt8Htstt8Htstt8H8tstt8HZtstvt8?H|tstvt8Htstvt8atstY X#   ,j D pty t` t\ t @tI^tsatsH^tsPats^tsHtstvt8a ts^tsHBtstvt8aWts<^ltsSHtstvt8[ats^tsHtstvt8ats^ts H(tstvt8a=tsM^RtsdHutstvt8lats^tsHtstvt8ats^tsH tstvt8a$ ts\^9 tsdaN ts^c tsH tstv t8a ts^ ts H tstv0t8 a tsM ^ tsd H tstv8t8l a2 ts ^G ts Hm tst#t8 a ts ^ ts H tstvt8 a ts{ ^ ts a ts ^ ts a" ts ^7 ts H\ tstt8- H tst|t85 a tsn ^ ts H tstt8 H tst|t8 a ts ^ ts HB tstt8 aW ts   ^u ts H tstt8 H tstt8 H tstt8 H tstt8 H. tstt8 HS tstt8- Hx tstt8E H tstt8] H tstt8e a ts j  ^ ts  H!tst}t8 HFtstt8 atsFv^ ei$X:eiiz}jz}iyZ^tsHtst}t8Htstt8H<tstt86H_tst}t8NHtst}t8VatsY`YUCB3GEeh3eht4 027lIenl=-ent;I2DW@:8Eesr><9exc?exxA1H5=6&Fvxc@cehteh (08@@enlHentPexxXvxc `exc!h"pH#x$esr%&'(U)*+&,3-%pPE 1##"# 8X}E )m!ms"nT#$rec##$##(# ,# 0#`4#8# <# @#ZD#kH# L$u)P%id%pos& & &_$& (& ,&^0&4& 8%pad <&H@&;D& H& L&ZP' ##<# #Y ## #+A:(:} a!m!! 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