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\$8\$0$\$(i\$ D$8D$0D$('\$ $viD$ \$8\$0\$($QiD$8D$0D$($0i$!iI\$ $ iD$ B$h$hhD$pD$D$ D$I؉D$LD$LD$$Iz eD$LD$D$ D$D$I$ID$L A ffffffUWVS,D$@l$DD$D$H$fl$ËD$L$f)xs1I\$D$|$@;\$t?DD$ D$|$4$H‰D$`jũ,[^_]Í&,1[^_]Í&'UWV1S<}]IljẼ)ąID$EԍF)ąɍD$Et9EL$D$Eԉ$gt9RE t$D$EЉ$gE̍]}ԅtAuȋủ؉Ǎv\$D$ D$<$US+U9uыuȅ}Ѝ]t;؉Ǎ\$D$ D$<$US+U9uыEԉD$Ẻ$d4$NjEЉD$d)xr1ۅI߃E̋Eо}Љ;}t@>D$ EЉ$HD$EԉD$hu̍e[^_]Í&e1[^_]Í}ЋE \$<$D$:f)D$D$ $dvE|$D$Eԉ$fM̋ED$ )8L$$d0&'VS\$ t$$\$4$c t&9t|!utH9r[^Ð)ډt$D$ $d[^fWVS8|$H\$Pt$LL$TG$T$XCFD$\FT$\$(AGT$T$ C$T$0D$T$$D$$D$D$ $l$ T$ YD$$Zl$0XD$ D$YD$Zl$(X8[^_ff$L$,D$4T$0A@\$B\$BA@D$($ƋD$8T$L$ $L$AD$L$ $$ffD$ L$t8wJuJÍÐt&D$ L$t8JuwJÍÐt&D$<0t5<1t1<2t-<3t)<4t%<5vt<6t<7t<8t&t<9Ðt&fffffUW1VSue]l$0_)t'D$8,$D$D$4D$9u߃[^_] Sec][path_interpolation.f90old_posold_pes_gradientold_vnew_posnew_pes_gradientnew_vfix_atomd_rtangentabcdfold_meshnew_mesh(A)(T2,"read_input: the card CELL_PARAMETERS not found")(T2,"read_input: an error occured reading CELL_PARAMETERS")CELL_PARAMETERS(T2,"read_input: ",A," is not a valid card")(T2,"read_input: lattice vectors not found")(T2,"read_input: an error occured reading laccice vectors")(3(2X,F14.10),/,3(2X,F14.10),/,3(2X,F14.10))OLDREAD(256A)ENERGIES, POSITIONS AND GRADIENTS(/,5X,"an error occured reading",A)UNKNOWNWRITE("RESTART INFORMATION")(I4)(A4)F("ENERGIES, POSITIONS AND GRADIENTS")("END")("Image: ",I4)(2X,F18.10)(3(2X,F18.12),3(2X,F18.12),3(2X,I1))(3(2X,F18.12),3(2X,F18.12))DInteger overflow when calculating the amount of memory to allocateAttempting to allocate already allocated variable '%s'At line 106 of file path_interpolation.f90Allocation would exceed memory limitAt line 107 of file path_interpolation.f90At line 108 of file path_interpolation.f90At line 109 of file path_interpolation.f90At line 110 of file path_interpolation.f90At line 111 of file path_interpolation.f90At line 112 of file path_interpolation.f90At line 113 of file path_interpolation.f90At line 114 of file path_interpolation.f90At line 115 of file path_interpolation.f90At line 116 of file path_interpolation.f90At line 117 of file path_interpolation.f90At line 118 of file path_interpolation.f90At line 119 of file path_interpolation.f90At line 120 of file path_interpolation.f90At line 121 of file path_interpolation.f90?@@?TN alat has not been set cell_alat cell mass is less than 0 ! movecell (3X,'Simulation cell parameters with the new cell:')(3X,3F14.8)( 3X, 'alat = ',F14.8)( 3X, 'a1 = ',3F14.8)( 3X, 'a2 = ',3F14.8)( 3X, 'a3 = ',3F14.8)( 3X, 'b1 = ',3F14.8)( 3X, 'b2 = ',3F14.8)( 3X, 'b3 = ',3F14.8)( 3X, 'omega = ',F14.8)Isotropic expansion is only allowed for ibrav=1; i.e. for simple cubiccell_dofree unknown cell_dofree init_dofree (hh8(Pp(/,3X,'Simulation Cell Parameters (from input)')( 3X,'external pressure = ',f15.2,' [KBar]')(3X,'wmass (calculated) = ',f15.2,' [AU]')(3X,'wmass (read from input) = ',f15.2,' [AU]') wmass out of range cell_dyn_init(3X,'initial cell from CELL_PARAMETERS card')( 3X, 'ibrav = ',I4)( 3X, 'omega = ',F16.8)ref_alat must be set to a positive value (in A.U.) in SYSTEM namelistref_cell_base_init(3X,"Reference Cell read from REF_CELL_PARAMETERS Card")(3X,"Reference Cell alat =",F14.8,1X,"A.U.")(3X,"ref_cell_a1 = ",1X,3f14.8)(3X,"ref_cell_a2 = ",1X,3f14.8)(3X,"ref_cell_a3 = ",1X,3f14.8)(3X,"ref_cell_b1 = ",1X,3f14.8)(3X,"ref_cell_b2 = ",1X,3f14.8)(3X,"ref_cell_b3 = ",1X,3f14.8)(3X,"Reference Cell Volume",F16.8,1X,"A.U.")ibrav=0: must read cell parameterscell_base_initredundant data for cell parameterslattice parameter specified twicelattice parameter not specifiedunexpected cell_units incorrect values for cosab, cosac, cosbcdo not specify both celldm and a,b,c!inputalatangstrombohrnoneR?R?V?V?^?^?b?b?V?V?^?^?2Dshape2Dxyalldefaultshapevolumexxyxyzxzyyzz<@<@C@C@G@G@J@J@Q@Q@V@V@\@\@]@]@_@_@ b@b@ d@d@ e@e@ g@g@ cell_base.f90?@ AlXo%>:0yE>-DT!@@@X#t?΍{@?2xQ,Bp$CtCCFJLM$PU$XP4[\adPil$n4qPrtuvHdwxwy{$}\T~T0 Dt (!Ԇ@!D!t!$!d "("D"4`""d"""#@####,$D$t$,%%%4&ԫ&&<'4''T'(ļX(t((4)x))T*T*T**++,+$@+tT++zR|  BF J tx?;*2$"@@G4AA AAF, AA AAG xF8AB t <(|AA AAC$ AA AAA T|3AA AAF AA AAE E AA AAA P<AA AAF. AA AAL vAA AAṔAA AAF. AA AAL vAA AA,AA CP  AAC <AA AAC, AA AAD @TXbAA AAC, AA AAA IS0u,C0((ЇAA C( AA<tAA AAF~AA AA8ĎaAA AAK AA AAF . AA AAF  AA AAE F AA AAF $ACE AF $AA AT AA AACh AA AAG  AA AAA ,d(%AA  AB AX(NAA AAF AA AAA  AA AAG PAA AACPd AA AAA AA AA@Dȣ1AA AAF. AA AAD ī(AA C0 AA$C04jAA AC A AAA ԯ,`Cj C U@LаEAA AAF! 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