ELFX4(D$D$D$ D$$D$($D$,  (D$0(T$D$40088D$8@@$  ((D$0088@@Í&'UWVS$$$$D$X$$$l$l$$$$$$$$$D$8$|$t$$$$$D$4$l$x$$$$$$$$$$$$$$$$$l$D$l$T$ $$$$l$`j މ$l$@*l$Ljl$\jl$djl$Pj Rl$h$Q Wމ$T$HT$|Q$QI$P L$pى$$W $H҉$H$H$H @$=$DЉ$1҅IDЉ$$DŽ$pDŽ$$D$8$$$DŽ$ $DŽ$tD$8D$4$D$Xݔ$8ݔ$Cݜ$Cݜ$Cݜ$C ݔ$C(ݜ$C0ݜ$C8ݜ$K@ݔ$ 5ݜ$(~`$8D$ $(D$D$x\$8D$$D$D$tD$D$lD$ D$TD$D$DD$$$D$8t$t$f؍$,D$X=$ u ,$DŽ$4DŽ$8$0DŽ$,D$XD$,$D$D$(D$,$D$D$,$,$R fC =*5DŽ$4n&,$DŽ$8DŽ$\0$0DŽ$`DŽ$,D$XD$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$D$ ݜ$ t&,$DŽ$4DŽ$8a$0DŽ$,,$DŽ$4eDŽ$8qDŽ$\DŽ$`,$DŽ$,$0,$ K,$DŽ$4DŽ$8~$0DŽ$,t$XD$,$t$D$D$,$D$D$,$D$D$,$,$,$DŽ$4DŽ$8$0DŽ$,D$t$,$D$D$,$$D$D$,$ ݜ$D$D$,$,$,$DŽ$4DŽ$8$0DŽ$,D$XD$,$D$D$D$,$D$D$,$D$D$,$,$$D$D,$DŽ$4DŽ$8$0DŽ$,D$XD$,$D$D$D$,$D$DD$,$D$ ݜ$D$D$,$,$DŽ$DŽ$t&DŽ$D$HDŽ$D$@BD$X 9T$$$DŽ$ "$0t$D$XD$ D$D$$DŽ$,&=+"5DŽ$4 DŽ$8hDŽ$\DŽ$`\51$$D$`( $\$8t$`$,$D$D$Xt$D$ $ D$D$8 $ DŽ$     tm tZ (tG 0t4 8t! @t$ H$D$` ݜ$0 L$P$\$\t$h+\$d)ȋT$@+$$DL$LD$8$0$@D$$$8$,D$DDŽ$4DŽ$<$@DŽ$H$LDŽ$`DŽ$hDŽ$l DŽ$dDŽ$XDŽ$\DŽ$ DŽ$DŽ$ DŽ$DŽ$DŽ$D$ D$$XD$,$D$`$l$DŽ$DŽ$$D$@$DŽ$DŽ$$8D$PDŽ$4DŽ$<$@$DD$LDŽ$H$L$,D$8$0D$D$$tD$`!$r!D$`m$1ɅI˅,1҃I1=ʍ 1O~,EЉ$$$p,DŽ$xDŽ$DŽ$$DŽ$|DŽ$DŽ$DŽ$tDŽ$P $D$pD$\D$hl$LD$P$+$D$TD$\fD$d2t$hT$p\$|,ûv$4ƉȃD$8$)ЉD$@&D$TDŽ$DŽ$$$D$H$D$@$D$D$t$DŽ$4DŽ$<DŽ$@DŽ$8NjD$4<$DŽ$HDŽ$L$,D$LDŽ$DDŽ$0D$9t t<$l$P;\$8D$dD$hD$\;$$D$\t&DŽ$4,$DŽ$8DŽ$\$0DŽ$`BDŽ$,D$XD$,$D$$D$,$D$$D$,$D$D$tD$D$,$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$D$,$@D$$D$,$@D$$D$,$D$$D$D$,$D$D$,$,$Gt&D$X=$,$DŽ$4DŽ$8$0DŽ$\DŽ$`5DŽ$,D$XD$,$D$D$tټ$D$,$$ f$ $D$٬$ ۜ$٬$D$lD$,$D$$D$,$D$D$xD$,$D$D$D$,$,$t t $t$$pDŽ$t$$h$Č[^_]f,$DŽ$4DŽ$8$0DŽ$,,$,$DŽ$4DŽ$8$0DŽ$\DDŽ$`DŽ$,D$D$b,$D$D$e,$D$D$j,$D$ D$k,$D$D$w,$D$D${,$,$9vDŽ$8sDŽ$\$DŽ$`fČ[^_]Ðt&,$DŽ$8DŽ$\ $0DŽ$`8DŽ$,D$XD$,$D$$D$,$D$$D$,$D$D$tD$D$,$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$D$,$@D$$D$,$@D$$D$,$D$$D$,$D$,$D$l\$8$D$8D$ D$D$$$$D$\$8D$D$ D$D$$D$8$\$8$(D$ D$XD$D$4D$D$8ء,$DŽ$4DŽ$8$0DŽ$,,$$D$`ɋD$8ء,$DŽ$4DŽ$8$0DŽ$\DŽ$`$DŽ$,$D$,$D$,$D$`D$8\$8,$DŽ$4DŽ$8$0DŽ$,,$D$`D$8؋D$4D$ D$$D$D$8&l$LD$` $ $tMD$`$$+$+$$+$$$$D$`DŽ$p DŽ$$$$L$`&$׃99tD$@,$L$HT$8$0DŽ$4DŽ$8DŽ$\\DŽ$`DŽ$,$D$D$,$D$|$,$D$t$,$,$L$HD$@T$81$ZZD$X=(tt&s ,$DŽ$4DŽ$8DŽ$\DŽ$`2DŽ$,DŽ$0!D$XD$,$D$$D$,$D$$D$,$D$$D$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$8D$D$,$$(D$D$,$,$,$DŽ$4DŽ$8DŽ$\DŽ$`DŽ$,DŽ$0'D$XD$,$D$$D$,$D$$D$,$@D$$D$,$@D$$D$,$D$$D$,$D$$D$,$D$$D$,$D$,$1ɅI˅ƍI1= 1OEЉ$$ 1DŽ$DŽ$DŽ$DŽ$DŽ$$DŽ$DŽ$~PP9u؍$$D$D$D$ D$l$D$TDŽ$4DŽ$<DŽ$@DŽ$8DŽ$HDŽ$LDŽ$DDŽ$,DŽ$0$$D$H$D$\$D$`$D$8$9D$L|$ql$dl$`ȉD$PD$\\$@ȋL$H D$8Xv;l$8tټ$$ f$ &٬$ ۔$٬$$$ۄ$sك$ۄ$9uL$@9ul$dD$4D$D$D$ $D$T,$DŽ$DŽ$D$D$DDŽ$DŽ$DŽ$D$DŽ$DŽ$DŽ$DŽ$4DŽ$,DŽ$0$L+$H$D$,T$H$@D$@L$4D$P+$<l$T4t$Dt$Ll$DD$\1D$`CD$8_t&1xfƒ9uL$4;t$8u܋l$TD$@t$$L$HD$D$D$D$X$D$ +D$LD$PD$=D$HD$H$DŽ$=e $D$$$,$DŽ$4DŽ$8$0DŽ$\DŽ$`DŽ$,D$D$,$D$\$,$ݜ$D$D$,$D$\$,$ݜ$,$=$,$DŽ$4DŽ$8$0DŽ$\DŽ$`DŽ$,D$D$,$D$\$,$ݜ$D$D$,$D$\$,$ݜ$,$R,$DŽ$4DŽ$8y$0DŽ$,D$D$,$$D$D$,$ ݜ$,$,$DŽ$4DŽ$8$0DŽ$,D$XD$,$D$D$D$,$\$ 5$D$DD$,$D$ ݜ$D$D$,$,$,$DŽ$4DŽ$8$0DŽ$,,$D$`,$DŽ$4DŽ$8DŽ$\DŽ$`DŽ$,$0,$u$D$0D$,D$(D$D$XD$$D$ D$D$$pD$D$ D$D$$|,$DŽ$4DŽ$8$0DŽ$,,$D$`"$pD$0D$,D$(D$$D$ D$D$D$D$D$ D$D$$D$@D$0D$,D$($8D$PD$$D$ D$$DD$LD$D$ D$$,D$8l$$DŽ$4$0$DŽ$<$@DŽ$HD$D$X$LD$D$@D$0D$,D$($8D$PD$$D$ D$$DD$LD$D$D$$,D$8D$ D$l$$DŽ$4DŽ$<$@DŽ$H$L$0,$DŽ$4DŽ$8$0DŽ$\DŽ$`<DŽ$,D$DD$,$D$݄$@%݄$H%݄$P%ݜ$,$9,$DŽ$4DŽ$8$0DŽ$\,DŽ$`,DŽ$,$0D$D$,$,$D$`y,$DŽ$4DŽ$8$0DŽ$\XDŽ$`+DŽ$,$8D$D$,$,$DŽ$8jDŽ$\\DŽ$`,$DŽ$8DŽ$\L$0DŽ$`BDŽ$,D$XD$,$D$$D$,$D$$D$,$D$D$tD$,$D$$D$ ݜ$$D$$t $D$$D$D$XD$ D$PDŽ$4DŽ$8mDŽ$\DŽ$`,$DŽ$4DŽ$8DŽ$\xDŽ$`DŽ$,DŽ$0!D$XD$,$D$$D$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$D$,$D$DD$ ݜ$D$,$D$D$,$,$$D$0D$,D$($8$D$$D$ D$$D$D$D$ D$$,$l$$DŽ$4D$D$XDŽ$<$@DŽ$HD$$L$0/,$DŽ$4DŽ$8$0DŽ$\DŽ$`8DŽ$,D$XD$,$D$$D$,$D$$D$,$D$D$tD$,$D$$D$ ݜ$$$D$ D$XD$$D$_$D$ D$D$$$,$DŽ$4DŽ$8$0DŽ$,,$D$`$D$0D$,D$($8$D$$D$ D$$D$D$D$D$D$ D$l$$DŽ$4DŽ$<$@DŽ$H$L$,$01ɅI˅ ƍI1= 1O EЉ$$ 1DŽ$DŽ$DŽ$DŽ$DŽ$$DŽ$DŽ$~PP9u؍$$D$D$D$ D$l$D$TDŽ$4DŽ$<DŽ$@DŽ$8DŽ$HDŽ$LDŽ$DDŽ$,DŽ$0$$$D$H$D$\$D$`$9ЉD$L"$΍ȉD$PD$\\$@ȋL$H BD$8D$`l$`X9qټ$$ f$ t&٬$ ۔$٬$$$ۄ$sك$ۄ$9uL$@;t$8xl$`D$4D$D$D$ $D$T,$DŽ$DŽ$D$D$DDŽ$DŽ$DŽ$D$DŽ$DŽ$DŽ$DŽ$4DŽ$,DŽ$0$L+$H$@$DD$@$<)D$@$,L$8D$DD$P4t$4t$LD$\t$H{ƋD$@1l$@X1xƒ9uL$8T$49u݋l$@D$Dt$$L$HD$D$D$D$X$D$ +D$LD$PD$=?D$H0D$D$l$v,$DŽ$4DŽ$8DŽ$\DŽ$`;DŽ$,DŽ$0!D$XD$,$D$$D$,$D$$D$,$D$$D$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$8D$D$,$$(D$ DŽ$4,$DŽ$8DŽ$\DŽ$`;DŽ$,DŽ$0!D$XD$,$D$$D$,$D$$D$,$D$$D$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$8D$D$,$$(D$D$,$D$DD$ ݜ$[,$DŽ$4DŽ$8DŽ$\DŽ$`DŽ$,DŽ$0!,$,$DŽ$8DŽ$\DDŽ$`>DŽ$,DŽ$0!D$XD$,$D$$D$,$D$$D$,$D$$D$,$D$D$tD$,$D$D$lD$,$D$$D$,$D$D$xD$,$D$$D$,$D$$8D$D$,$$(D$_$L$HD$D$D$D$X$D$ +D$LD$PD$$D$PC$,D$@$L$HD$D$D$D$X$D$ +D$LD$PD$t$,D$D$D$P$1JD$D$l$$D11uÍSx\$$D$$D$ D$(D$$$D$$D$(D$ D$$D$/D$$$$D$$D$(D$ D$$D$/D$T$$D$$D$(D$ D$$D$$D$$$D$$D$(D$ D$$D$ND$$$D$$D$(D$ D$$D$ED$$$D$$D$(D$ D$$D$+D$@ $$D$$D$(D$ D$$D$BD$l $$D$$D$(D$ D$$D$3D$ $$D$$D$(D$ D$$D$DD$ $$D$$D$(D$ D$$D$BD$( $$D$$D$(D$ D$$x[ÐU1WVS t$l$`~rD$ D$ =\$=\$ =\$(=\$0= \$8=(\$@=0\$H=8\$P=@\$XD$ D$ =\$`=\$h=\$p=\$x= ݜ$=(ݜ$=0ݜ$=8ݜ$=@ݜ$O$$DŽ$DŽ$$DŽ$l DŽ$pDŽ$$$DŽ$DŽ$ $DŽ$ DŽ$+DŽ$D$t$$D$l$$$$DŽ$DŽ$!$DŽ$ DŽ$+DŽ$D$ D$D$$D$hD$D$$$$DŽ$DŽ$"$DŽ$4 DŽ$+DŽ$D$(D$D$$D$pD$D$$$$DŽ$DŽ$#$DŽ$` DŽ$+DŽ$D$0D$D$$D$xD$D$$$$DŽ$DŽ$$$DŽ$ DŽ$+DŽ$D$8D$D$$$D$D$$$$DŽ$DŽ$%$DŽ$ DŽ$+DŽ$D$@D$D$$$D$D$$$$DŽ$DŽ$&$DŽ$ DŽ$+DŽ$D$HD$D$$$D$D$$$$DŽ$DŽ$'$DŽ$ DŽ$,DŽ$D$PD$D$$$D$D$$$$DŽ$DŽ$($DŽ$< DŽ$+DŽ$D$XD$D$$$D$D$$$$DŽ$DŽ$)DŽ$g DŽ$DŽ$$$ [^_]Í'UWVS$$$u[^_]Ít&D$,\$4$D$<D$@GD$,D$L1҉\$XD$\j D$`D$|q DŽ$IЋ|$4<$T$TD$8D$4 #D$,mD$0\$ t$D$<$D$4D‰$t$4|$0D$ w D$n|$t$ÉD$,$~ t<$l$D$ D$\$$ $[^_](3X,'Allocated memory (kb) = ', I9 )$(/,3X,"System Density [g/cm^3] : ",F25.10,/)(/,3X,"System Volume [A.U.^3] : ",F25.10,/)(/,3X,'Center of mass square displacement (a.u.): ',F10.6,/)&pos#vel"for%(//' Partial temperatures (for each ionic specie) ', /,' Species Temp (K) Mean Square Displacement (a.u.)')(3X,I6,1X,ES10.2,1X,ES14.4)( I7,2(2X,ES12.6),6(2X,F18.8) )( '#',3X,'nfi',4X,'time(ps)',8X,'ekinc',8X,'T_cell(K)',5X,'Tion(K)',10X,'etot',15X,'enthal',15X,'econs', 15X,'econt',10X,'Volume',8X,'Pressure(GPa)',8X,'EXX',15X,'EVDW' )( I7,4(2X,ES12.6),4(2X,F18.8),2X,ES12.6,2X,F12.5,2(2X,F15.8) )( I7,4(2X,ES12.6),4(2X,F18.8),2X,ES12.6,2X,F12.5,2X,F15.8 )( I7,4(2X,ES12.6),4(2X,F18.8),2X,ES12.6,2X,F12.5 )*+(2X,'nfi',8X,'tempp',15X,'etot',15X,'enthal',15X,'econs', 15X,'econt',15X,'exx',15X,'evdw')(2X,'nfi',5X,'ekinc',14X,'temph',2X,'tempp',10X,'exx',15X,'etot',15X,'enthal', 15X,'econs',16X,'econt',16X,'vnhh',4X,'xnhh0',4X,'vnhp',4X,'xnhp0',8X,'evdw')(2X,'nfi',5X,'ekinc',14X,'temph',2X,'tempp',10X,'exx',15X,'etot',15X,'enthal', 15X,'econs',16X,'econt',12X,'vnhh',4X,'xnhh0',3X,'vnhp',4X,'xnhp0')(2X,'nfi',5X,'ekinc',14X,'temph',2X,'tempp',5X,'etot',17X,'enthal', 15X,'econs',16X,'econt',16X,'vnhh',4X,'xnhh0',4X,'vnhp',4X,'xnhp0',8X,'evdw')( 2X,'nfi',5X,'ekinc',14X,'temph',2X,'tempp',5X,'etot',17X,'enthal', 15X,'econs',16X,'econt',14X,'vnhh',4X,'xnhh0',3X,'vnhp',4X,'xnhp0')ab-initio volume = a.u.^3PV = haP = ab-initio surface = a.u.^2spherical surface = t*S = # of electrons within the isosurface = ( I7,1X,F10.5,6(1X,F18.10) )( I7,1X,F20.15,1X,F6.1,1X,F7.2,5(1X,F20.12),4(1X,F8.4),1X,F20.12 )( I7,1X,F20.15,1X,F6.1,1X,F7.2,5(1X,F20.12),4(1X,F8.4) )( I7,1X,F20.15,1X,F6.1,1X,F7.2,4(1X,F20.12),4(1X,F8.4),1X,F20.12 )( I7,1X,F20.15,1X,F6.1,1X,F7.2,4(1X,F20.12),4(1X,F8.4) )( ' ',A5,A8,3(1X,A12),A6 )nfitemppE-T.S-mu.nbsp+K_p#Iter( 'Step ',I5,1X,I7,1X,F13.6,1X,F13.6,1X,F13.6,1X,I5 )( A14,F12.6,2X,A14,F12.6)Elct. dipole 1Ionic dipole 1Elct. dipole 2Ionic dipole 2( I7,2X,ES12.6,6(1X,F15.8) ) Short Legend and Physical Units in the Output --------------------------------------------- NFI [int] - step index EKINC [HARTREE A.U.] - kinetic energy of the fictitious electronic dynamics TEMPH [K] - Temperature of the fictitious cell dynamics TEMP [K] - Ionic temperature ETOT [HARTREE A.U.] - Scf total energy (Kohn-Sham hamiltonian) ENTHAL [HARTREE A.U.] - Enthalpy ( ETOT + P * V ) ECONS [HARTREE A.U.] - Enthalpy + kinetic energy of ions and cell ECONT [HARTREE A.U.] - Constant of motion for the CP lagrangian(//,3X,'Averaged Physical Quantities',/ ,3X,' ',' accumulated',' this run')(3X,'ekinc : ',F14.5,F14.5,' (AU)')(3X,'ekin : ',F14.5,F14.5,' (AU)')(3X,'epot : ',F14.5,F14.5,' (AU)')(3X,'total energy : ',F14.5,F14.5,' (AU)')(3X,'temperature : ',F14.5,F14.5,' (K )')(3X,'enthalpy : ',F14.5,F14.5,' (AU)')(3X,'econs : ',F14.5,F14.5,' (AU)')(3X,'pressure : ',F14.5,F14.5,' (Gpa)')(3X,'volume : ',F14.5,F14.5,' (AU)')(/)unknownappend opening file open_and_append print_out.f90wfc_tempInteger overflow when calculating the amount of memory to allocateAllocation would exceed memory limitAttempt to DEALLOCATE unallocated '%s'At line 298 of file print_out.f90At line 315 of file print_out.f90@@@?@@Dioi&@UUUUUU?-DT! @-DT!)@DP \Hl;OBTTTO&O&O&O& rO& O&< O&zO&O& & ^accT ^ VT^ `Tn o&n |&nnfi  n &n n  g }&& &eht&eh& h&(Y&0i&8 &@enl&Hent&Pexx&Xvxc&`exc&h&p&x&esr&&&& &&&& & P;*2+2+2 ,2,1C,0,0,/,.,-,-,)9-)H-'a-&/&>%}-#-#-#-#-#-#-$.$."0.!_.!n.!}. . ...... /"/;/Z/h/w///////l11112:2d2+33,4* 4(/4>4M4\4k4O{4nfi n *  *% * tps &h * *F+G+ ?}+$ &( &,r &0B+4 &8  &<<  &B  &S * * +y +F &  &  & & & *S *H *H:0{ndisI:Unn:^iaLnisLnzisaLnU LnznJ&{G*|nn;M ;{nT;N*{6K&{N*{nngw;J&{ M};{ =; ;tt{tvt ytz/(;;t(tytyt z0$H;;x$<tt1yy3$y"t ytzt'<H;o<<tt ytz7H ;;H7<tt1yy3$y"t ytzt<HX ;<<tt ytz(r ;)I<tt{t 0tytzt0t0t 0t$0t(0t,0t00)9 ;*I<ttut 0tytzt0t0t 0t$0t(0t,0t001.0r ;a.<tt ytz/ ;0I<ttut 0tytzt0t0t 0t$0t(0t,0t001*# ;1<tt|tyt z <Z t$w0w0*(3$1w0w0*(3$0.( =q tz Q= ty B- tytytyt ytytytyt{t { 2= tu ,? tutyt4 D/?D tutt( \H?_ tut8 da?t tu!vp?!? 2= tu ? tutyt4 $H? tutyt8 <H? tutyt8 WH?+ tutyt8 oH?O tutyt8 H?s tutzt8 2= tu a? tu!p? [2= tu ca? tu 2= tu ?tutvt4 /?,tuttC H?Gtut8  /?ltutt7  a?tu Q 2=tu e ?tutvt4 } /?tutt5 H?tut|t8 /?%tutt3 a?:tu 2=Otu % ?stutyt4 = /?tuttD U H?tut8 m /?tutt7 u a?tu 2=tu ?&tutyt4 /?Ktutt6  H?otutyt8 5 /?tutt3 = a?tu =tz ?tyt  !% ? 8?tut{tyt{ ?4tytu <ta?tu S@ty ?t   @t{t0t0 42='tu <a?<tu 2=Qtu ?ututzt4 a?tu 2=tu a?tu X;tyt0t 0 o@ty 2=tu ?&tutzt4 H?Htutwt8 H?jtutvt8 a?tu!Xp?!e? 2=tu ?tutyt4 H?tutzt8 H?tutyt8 .H?6tutzt8 FH?Ztutyt8 ^H?~tutyt8 yH?tutyt8 H?tutyt8 H?tutzt8 H? tut{t8 H?"tu a?7tu 42=Ltu L?ptutyt4 gH?tutzt8 H?tutz#@t8 H?tutz#@t8 H?tutzt8 H?(tutzt8 H?Ltutzt8  H?ptutzt8  a?tu! < !@tytut 0t0t0 {#(Atutytyt 0t0t0!0$o@ $o@ty $A1t0t0 @%2=Ftu X%/?ktutt> {%H?tutst8 %/?tutt> %H?tutst8 %a?tu &2=tu -&/?#tutt> P&H?Etutst8 h&/?jtutt> &H?tutst8 &a?tu &2=tu &/?tutt4 'H?tut|t8 'a?tu U'2=(tu m'?Ltutyt4 '/?qtuttD 'At &UUUUUU? 'H?tutyt8 '/?tutt7 'a?tu ((2= tu 0(a? tu (2=, tu (a?A tu B)2=V tu J)a?k tu )I< t{t t0t0t0t$0t(3t,3t00 Z+I< tut t0t0t0t$0t(3t,3t00 +2=!tu ,H?7!tutyt8 ,a?L!tu X,2=a!tu s,H?!tut{t8 {,a?!tu ,2=!tu ,H?!tut{t8 ,a?!tu b-2=!tu z-?"tutyt4 -H?C"tutyt8 -H?g"tutzt8 -H?"tutyt8 .A"t0t0 .2="tu .?"tutyt4 /H?#tutzt8 ,/H?&#tutyt8 D/H?J#tutyt8 _/H?n#tutyt8 w/H?#tutyt8 /H?#tu /H?#tu /H?#tut8 /a?#tu 02=$tu 1?%$tutyt4 21H?I$tutyt8 M1H?m$tutzt8 e1H?$tutyt8 1<$t|t0t 0 22=$tu &2a?$tu 2I<&%tut t0t0t0t$0t(3t,3t00!j3< 4A_%tytut 0t0t0 M6+B%tutytyt 0t0t0!7o@ }7B%ttlt 72=%tu 7?&tutyt4 7H?*&tutzt8 8H?N&tutyt8 38H?r&tutzt8 K8H?&tutyt8 c8H?&tutyt8 ~8H?&tutyt8 8H?'tutyt8 8H?&'tutzt8 8H?I'tut{t8 892=^'tu P9?'tutyt4 k9H?'tutzt8 9H?'tutyt8 9H?'tutzt8 9H?(tutyt8 9H?6(tutyt8 9H?Z(tutyt8 :H?~(tutyt8 :H?(tutzt8 ::H?(tut{t8 U:H?(tut{t8 :2=(tu :a?)tu ;2=')tu );?K)tutyt4 D;H?o)tutzt8 _;H?)tutyt8 z;H?)tutzt8 ;H?)tutyt8 ;H?)tutyt8 ;H?#*tutyt8 ;H?G*tutyt8 ;H?k*tutzt8 <H?*tut{t8 =B*t 0=B*ttlt<=BtDn*X#&+ n n$&G+% 1##"# 8% 1# #"#8$&}+% 1##"# 8% 1# #"#8$&+% 1##"# 8% 1# #"#8&&+% 1##"# 8 &+ n*, 2n  2_ n j2*, 2N*, n:, nIS,'wfc1rS,(0.&,)### 8)## #8,*2O***" ,  /&j, .* - h-X& -X -+0.&0-)### 8DX- )* )8nq- 'q-, --` .*.-.*.n-/ '. \#& # & # &  #& #-* u#c* # * #&V.-.*.*.*.*.J . n! n !x& J! &O.'tcg *  n/ K * & , & G ,* u & y&K/0g&;/.K/ *1* 0'na0'nsp"n'natU n 0  ^ { :02/.J0.0.0.*.02 /.0.1 =1 n0 n +0.n:0)### 4 &J0 nP0$&0% 1##"# 8% 1# #"#80&&0% 1##"# 80&n0% 1##"# 41:00&&1% 1##"# 81$&=1% 1##"# 8% 1# #"#8+0.a1a1)### 3322Zp 1.2.n4( [@1.2.n2  1.*.2.*.2.2.2.2.2. 3.2.n.n.n2H2.*.|3.2.22h:2.*.3.2.24I1d2.*.3.*.2.25'.*.3.*.*..21-2$&2% 1##"# 8% 1# #"#81a11n1&12&a1 3% 1##"# 313&n23% 1##"# 4&a1W3% 1##"# 3&n|3% 1##"# 41*1*13 &36n13#&3 n6n3'exx&-} .*.2.3.2.2.41w1*{4 k*'lwf*'ndwn N n H ,* r* 2!*7*8<P=_49-H-*@T9 9- H-   M 9;{9;| ;B2=*5ts CBa??5ts B2=T5ts BH?v5tstvt8 BH?5tstut8 Ba?5ts C2=5ts !CH?5tst|t8 9CH?6tst|t8 ACa?6ts C2=26ts CH?U6tst|t8 CH?x6tst|t8 Ca?6ts D2=6ts 'DH?6tst|t8 ?DH?6tst|t8 GDa?6ts D2=7ts DH?57tst|t8 DH?X7tst|t8 Da?m7ts E2=7ts 0EH?7tst|t8 KEH?7tst|t8 SEa?7ts E2=7ts EH?8tst|t8 EH?88tst|t8 Ea?M8ts $F2=b8ts PGs:@9-A >n>; ;9Dn~::; $HB9twt~tvt s!@H< qHB.:tutst>t w tvtw Ho@C:tw HCy:t tstt Atu"Ho@ GC:tvtsH-Ctw &:;nu#&:;n;n1:#&;;n;n 1:(0.&A;)### 8)## #8 &T;;n*1A;#&w;;ne;nn1Z;(0.&;)### 8)## #87n &; n <2;.*.*.*.*.2H<.*.|3.2.24'I<.*.3.*.*..22  <.*.2.*.2.2.2.23.2.W3.2.n.n.n4I1<.*.3.*.2.22h<.*.3.2.201Hu=.=9 2 W==0g&2=.K/>A=.A=1G=? T>@ >Arec>@ >$@(>(@>,@ >0@^n4@n8@ ><@ >@@ nD@nH@6 >LAu>PBid2Bpos>C>C|n C@n$C >(C>,Ci n0Cn4C" >8Bpad><C3n@C nDC>HCi>LCbnPD >@n@n@>@n @D n@ >@ 21>z  1> ??E?w  >K/?.A=.u.n> H?.A=.u.n>a?.A=.u.n>.p?.A=*2O***2` ?.*.-.*.n2?.J0.0.0.*.02 ?.0.1F u@.u2 '@.'@.-@.3@1:01:09@$&o@% 1##"# 8% 1# #"#82@.u2t @=2} @.*.2.3.2.2.4G!@.@.A.A@$&A% 1##"# 8% 1# #"#8!AOG%DA.DA.A.AJA$&A% 1##"# 8% 1# #"#84( [@A.2.nHpow&A.&.&2Zp A.2.nG2A.A.A.AA$&+B% 1##"# 8% 1# #"#8G6GB.GB.A.AMB$&B% 1##"# 8% 1# #"#8>B.>.>=>B.>=>xB.>>B.2.B.n.>1>>C.n.>.n.>.n.>4i IqC=FBn-C.n.>>@Kn@ n @P >$@>(@n,@n0@>4@>8@- n<@@n@@ >D@?>H@nL@nP@ >T@" >X@n\@3n`Apad>d@>h@nl@i np@>t@J>x@n|@ n@>@i>@bn@|n@>@2% B $ > .?: ;n@B: ;: ;I I<4: ;nI?< 4: ;nI?< 4: ; nI?< I !I/   : ;  : ; I8  : ; I8 .?: ; n@B: ; ': ; I : ; I: ; II44: ; I4I44: ; I4: ; I4I4 'I1B 1!1"B1# I$ PI%!/Q&PI'4: ; nI?<( PNI)!"/Q*.?: ; nI<+PNI, -.?: ; n<.I/0.?: ; nI<1 I2.?: ; n<3 4.?: ;n<5.?: ;n<6!I7&I8.?: ;n@B94: ;I: U;!I/<=>.?<? @ I8 A I8 B I8C I8D E!I" / F.?I<G.?: ;<H.?: ; nI<I W  Wz WCaW_+,W-.W11WpB y J=y pq# pp#$#$##B zz# J= zz# $# p#$# $##B zz# J= zz#jmQmp$B z J=zo1S ^0sy"y"1 ru# rr#### yy#B ###  yy#z 2 yy#Ca yy#), yy#-. yy#11 yy# == yy# ur#  u## uy#B u##  uy#z uy# & yy#C uy#a yy#), yy#-. uy#11 yy# == yy#UryB   yz >yCay),y-.y11y ==yQB z J=z=@ #r#@ # ##B zz#B c  # ## J= zz#D #  ##B c  #  ##&)R)6q6 B yB c   J=yH HHHHM2 print_out.f90=W//e=ge=ge=ge=/e=/e=/e=/e=/e=/v/~f~Jt~t~< J %(-T*~&~Dt~t~)i@ Jʑ%X|t|t=(E@}o) Dy6=#xAL ~JJ~. F5gZ JqJ .%{(5..JH f 50~n=afxw=etowns-&@} 51 -\1K~/6,=J .%z#5..JHIJb h?vW?'bm~mtotht t5IIIIIIIIII1 t. tX rZ{SyyfQQxi,wnbsp__cg_module_MOD_tcg__pres_ai_mod_MOD_n_ele__builtin_malloctempsmalloccg_moduleehteformat_lenehtiout_press_gfortran_os_erroramassekinxnhh0funct__electrons_base_MOD_nbsp_gfortran_runtime_errorunit__funct_MOD_exx_is_activeprintout_wfcencoding_leniprintprint_legend__control_flags_MOD_conv_elecfionio_global__electrons_base_MOD_iupdwnnupdwnerrore_xnhp0tmp_dirposition_len__energies_MOD_exx__control_flags_MOD_ts_vdwcontrol_flags_gfortran_runtime_error_atprintout_cellind_bckfree__ions_base_MOD_na__electrons_module_MOD_print_eigenvalues_gfortran_string_len_trimp_extsign_lents_vdw__wannier_module_MOD_wfc_gfortran_string_trimvnhpprintout_new_x_efield_modulevelsexx_is_activeprint_energies__input_parameters_MOD_tcpbotauw__control_flags_MOD_lwfions_displacementconv_elecprint_legend_encodingprint_stressnfi_runself_ehtedo_makov_paynevolclu__efield_module_MOD_pberryeleselfetot__cell_base_MOD_ainvnewunittsictemphc__io_files_MOD_tmp_dir_gfortran_st_write__pres_ai_mod_MOD_surfcluupdate_accomulators_dft_is_hybrid__printout_base_MOD_printout_base_close__printout_base_MOD_printout_stressmakov_paynenice_output_filesavgs_run__io_global_MOD_ionodeformelectrons_basesurf_tebandn_eleitercgfile_name__cp_main_variables_MOD_nfi_run__ions_base_MOD_nsptotalmassblank_lensic_epsilonacc_this_run__pres_ai_mod_MOD_abisuriprint_stdout__electrons_base_MOD_nupdwnfilename__builtin_freeions_cofmassopen_and_append_x_decimaltefieldconvert_leninteger(kind=4)cp_main_variables__control_flags_MOD_do_makov_payneposition__printout_base_MOD_printout_cellinput_parameterscdmi__control_flags_MOD_ndwpberryion__builtin_powsic_alphaasynchronoustsvdw_moduleprintout_base_open_gfortran_transfer_real_write__ions_base_MOD_label_srtio_filesiolength__printout_base_MOD_printout_vefftsvdwlogical(kind=4)etsvdwnprint_nfipress__ions_base_MOD_ions_displacement_gfortran_st_openegrandlabel_srtenergiesprint_out.f90delim_lenevdwopen_and_append_xtfirst__cp_main_variables_MOD_iprint_stdoutprintaccpad_lenupdate_accomulatorsreal(kind=4)/mit/espresso_v6.1/i386_ubuntu1404/qe-6.1/CPV/src__ions_base_MOD_ind_bck__cell_base_MOD_get_volumestdoutstress__st_parameter_opencell_baseprint_forcesprintout_new_xpberryion2__xml_io_base_MOD_save_print_countercharacter(kind=4)__efield_module_MOD_tefielddft_energy_typesizetype_gfortran_internal_packpberryelabivol__cg_module_MOD_itercgainvepseuaction__pres_ai_mod_MOD_volcluinteger(kind=8)c_charsurfclu__st_parameter_commonprintout_pos__efield_module_MOD_pberryionsic_module__ions_base_MOD_natdecimal_lenpberryel2exxalfa__st_parameter_dt__energies_MOD_print_energiesions_basemakov_payne_file_leninternal_unit_lens_to_r1b__sic_module_MOD_self_interactionmemstatiomsgexx_moduleform_lennamelist_nameiomsg_len__control_flags_MOD_iprinterrore__printout_base_MOD_printout_base_openemkinxml_io_baseenthalpvartcpbowfc_temptfilei_file_name_gfortran_transfer_character_writeeextforxnhe0__ions_base_MOD_amassatotdelimprintout_base_closeeconseconttextforfilekilobytes__electrons_base_MOD_nspincharacter(kind=1)__cp_main_variables_MOD_acc__pres_ai_mod_MOD_pvar__sic_module_MOD_sic_epsiloncommonpres_ai_modblankformatsizenspin__pres_ai_mod_MOD_surf_t__printout_base_MOD_printout_posiunittefield2GNU Fortran 4.8.4 -mtune=generic -march=i686 -g -O3 -fopenmp -fintrinsic-modules-path /usr/lib/gcc/i686-linux-gnu/4.8/fincludeiostat__ions_base_MOD_cdmi__cp_main_variables_MOD_nfiself_vxcprintacc_roundinternal_unit_gfortran_st_write_donevnherecl_invnhh__tsvdw_module_MOD_etsvdwtempp__sic_module_MOD_sic_alphastress_gpa__cp_main_variables_MOD_nprint_nfiskinlineconvertionodeself_excaction_len_gfortran_concat_stringprint_eigenvaluesekincaccesstprint__efield_module_MOD_tefield2wannier_module__tsvdw_module_MOD_vefftsvdwabisurasynchronous_lenvefftsvdwavgstfile__ions_base_MOD_ions_cofmassstatus_len__pres_ai_mod_MOD_p_extentropyiupdwnstatusierrprintout_stressround_len__printout_base_MOD_printout_wfc__io_global_MOD_stdout__funct_MOD_dft_is_hybridsignself_interactionflags__exx_module_MOD_exxalfaadvance_lenprintout_vefftsvdw_gfortran_matmul_r8get_volumeaccess_lenvolumecdm0save_print_counterepotadvancememstat_electrons_module__pres_ai_mod_MOD_abivoltau0_gfortran_transfer_integer_writereal(kind=8)__efield_module_MOD_pberryion2internal_unit_descnamelist_name_len__cp_main_variables_MOD_acc_this_runvave__efield_module_MOD_pberryel2printout_base__cell_base_MOD_s_to_r1b__control_flags_MOD_textfortstdoutGCC: (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4zR| BC>X8P;AA AAF AA AAG V AA AAF P=_QFFA<@AC FAF}AA AAPPGsAA AAFe AA AAE 2AA AA.symtab.strtab.shstrtab.rel.text.data.bss.rodata.rodata.str1.1.rodata.str1.4.rodata.cst4.rodata.cst8.rel.debug_info.debug_abbrev.debug_loc.rel.debug_aranges.debug_ranges.rel.debug_line.debug_str.comment.note.GNU-stack.rel.eh_frame@H DX%I+I0I 82UG2UVV cV(tVDp ( \  /GQ 0P0,H (\  !     B$D`P;4Mf} "6Pj0Il 4Qs %BOk.CWs1OStDhP=_@PGs + = S k s       print_out.f90update_accomulators___cp_main_variables_MOD_nfi_run__cp_main_variables_MOD_acc__cp_main_variables_MOD_acc_this_runprintout_new_x___ions_base_MOD_nspmallocmemstat___cell_base_MOD_get_volume__control_flags_MOD_do_makov_payne__io_global_MOD_ionode__cp_main_variables_MOD_iprint_stdout__pres_ai_mod_MOD_abivol__pres_ai_mod_MOD_abisur__io_global_MOD_stdout_gfortran_st_write_gfortran_transfer_integer_write_gfortran_transfer_character_write__pres_ai_mod_MOD_n_ele_gfortran_transfer_real_write_gfortran_st_write_done__cg_module_MOD_tcg__funct_MOD_dft_is_hybrid__funct_MOD_exx_is_active__control_flags_MOD_ts_vdw__input_parameters_MOD_tcpbo__energies_MOD_exx__exx_module_MOD_exxalfa__pres_ai_mod_MOD_pvar__pres_ai_mod_MOD_volclu__pres_ai_mod_MOD_p_ext__pres_ai_mod_MOD_surfclu__pres_ai_mod_MOD_surf_t__cp_main_variables_MOD_nprint_nfi__control_flags_MOD_ndw__io_files_MOD_tmp_dir__xml_io_base_MOD_save_print_counter__sic_module_MOD_self_interaction__electrons_module_MOD_print_eigenvalues__ions_base_MOD_na__ions_base_MOD_amass__ions_base_MOD_ions_cofmass__ions_base_MOD_ions_displacement__ions_base_MOD_nat_gfortran_internal_pack__cell_base_MOD_s_to_r1bfree__tsvdw_module_MOD_etsvdw__control_flags_MOD_iprint__cg_module_MOD_itercg__efield_module_MOD_tefield__efield_module_MOD_tefield2makov_payne___control_flags_MOD_textfor__sic_module_MOD_sic_epsilon__sic_module_MOD_sic_alpha__energies_MOD_print_energies__printout_base_MOD_printout_cell__control_flags_MOD_lwf__electrons_base_MOD_nbsp__wannier_module_MOD_wfc__cell_base_MOD_ainv_gfortran_matmul_r8__electrons_base_MOD_nupdwn__printout_base_MOD_printout_wfc__electrons_base_MOD_nspin__printout_base_MOD_printout_base_close__efield_module_MOD_pberryel2__efield_module_MOD_pberryion2__efield_module_MOD_pberryel__efield_module_MOD_pberryionpow__printout_base_MOD_printout_pos__ions_base_MOD_ind_bck__ions_base_MOD_label_srt__ions_base_MOD_cdmi__printout_base_MOD_printout_base_open__control_flags_MOD_conv_elec__tsvdw_module_MOD_vefftsvdw__printout_base_MOD_printout_vefftsvdw__printout_base_MOD_printout_stress_gfortran_runtime_error_at__electrons_base_MOD_iupdwn_gfortran_runtime_error_gfortran_os_errorprint_legend_printacc___cp_main_variables_MOD_nfiopen_and_append_x__gfortran_string_len_trim_gfortran_st_open_gfortran_string_trim_gfortran_concat_stringerrore_mpi_fortran_argv_null_mpi_fortran_errcodes_ignore_mpi_fortran_in_place_mpi_fortran_status_ignore_mpi_fortran_statuses_ignore_mpi_fortran_argvs_null_mpi_fortran_bottom_ &2:FNZiqy "(.4:M` >Ga ! !"#($8@%P&X'`(e)r*+,-"#$ '8'S'k''./"#(*,-="W#_(e s0"#$%1'  % ( "+ M #a $q y % 2 1 '  % ( ! "  #! $1 9 %I 3Q 'a i %q (  "  # $  % 4 3 ') 1 %9 ( 5   6 7 8! +/ ,= -H f  9  :  ;! </ ;8 <F ;O <] ;f <p ;y < ; < ; < ; < ; < ; <  < ;4=>;??c;@wAB,"%#=$X's'''''''-'H'c'sC{'(D"#$d$|'''E$(FGB-BY"g#("#% %$%4<%LT%dl%t("# $''B'Z'r'''''''2':(OHh6p7w5|8IJKLM"0#8(`"n#$("#(K"TMB q"#$'' (1-FDT*a+o,#$''*'B'Z'u'''''( 0#H$c'''''' ' ( N& -4 O  O>!P!Q!Rw#R,$B?$G$SV$t$Tz$U$B$,$$V$"%!%<%#L%T%%i%Ww%'%%%%X%'%(%"%%&#!&)&%>&YL&'\&d&%y&Z&'&(&"&&#&&%& '2'''(!'"/'Q'#i'$y''%' ''1' '[' ''''%'('"($(#,((?("M(c((#(((?()\)")>)#F)()])^))?)")\**?@**\*]*^++?+"V+\`+"n+++#+_++_+_+',(,",9,T,#o,'w,(,",,,#,',(-#-"<-^-#v-$-'-'-'-.-/.`.-%.a<.?C.T.b].cm.....#.$/'(/'@/'[/'s/'/'/.///'/C/'/(K0?d00\0"000#1$.1'I1'a1'v1.|1/11d1"1d1"12#"2(m2]2^22?2"2\3a3Of3{3O4Py4Q4RI6R6B77S&7D7TJ7Ue7m7t7y7e777#7$7'8'/8'G8'_8'z8'8'8'8'8,8949#L9$g9'9'9'9'9'9':':'6:'Q:'c:.i:/:::#:(: ;#%;$@;'[;'v;';';';';';'<'6<U><SM<V<fk<T<U<S<<f<T= =g= ='=,=e3=8=hQ=h="w==#=(="==#==%=(="= >#>">%*>(/>":>S>#f>k>%s>(x>">>#>>%>(>">>#>>%?( ?"?.?#A?F?%N?(S?"^?w?#??%?(?"??#??%?(?"? @#@!@%)@(.@"9@R@#e@j@%r@(w@"@@#@(@k@@A AA$A0AM\ix'7GWgz          4 9HWj s | )@N  2 @ Y k y    : L Z s      $ [ r     8 E ` u ~      , P t       !-Ham&;Pt'@Lp52Vk!Gk 0Tx'@Leq .RvAg(=Rv'Ik7[#8Mq)Mq2G`l$F_k)Mfr  - B W l     !8!M!b!!!!!!! "D"h"""""#'#K#o######$&$J$n$$$$$$'%0%`%%%%%%%%&+&O&s&&&&'''J'_'''''(7([(((((()()L)p))))*$*H*l**********++++, ,,,!,;,J,,,,,,,,,,,,,,,,-1-:-@-I-O-Y-b-h-u-~--------------. ....(.1.7.W.`.f.o.u.~................/ ///#/)/>>)>4>?>U>`>k>v>>>>>>>>>>>> ???0?I?b?q?w?????????? @@p@v@@@@@@$A)AAAAAAA,BBBBBBC CC.CCCICSC]CgCqC{CCCCCCCCCCCCCCDD%D/D9DCDMDWDaDkDuDDD ? <