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D$$[^_]D$D$$1铕D$D$l$1ġfSx\$$D$$D$(D$ D$LD$PD$$D$ $ D$ $D$ $ D$ $$D$$D$(D$ D$LD$PD$$D$ $:$D$$D$(D$ D$LOD$PD$$D$$D$$eD$$stv $D$$D$(#D$ D$LD$P!D$$D$$D$$D$$D$$D$$ D$$ D$ $*D$ $5D$$@D$$$D$$D$(=D$ D$LD$PD$$D$$D$$D$$D$$$D$$D$(CD$ D$LD$PD$$D$$D$$D$$D$$D$$D$$D$$D$ $D$$D$$D$$D$$ D$$D$$D$$D$$#D$ $+D$ $4D$ $@D$$LD$$RD$$XbtD$$x[&$D$$D$(0D$ D$LFD$PD$$ D$ $^D$$hD$$kD$$qD$$wD$$}D$$N$D$$D$(+D$LD$PD$D$ $f$D$$D$(\D$ D$L^D$PD$$D$$vD$ $|D$ $D$ $D$ $D$ $D$ $D$ $t&$D$$D$(D$ D$LD$P D$$D$$D$ ${L$D$$D$(D$ D$LD$P"D$$D$$GD$$D$ ${D$$D$$D$$D$$zt&D$$G&$D$$D$(D$ D$LD$P!D$$D$$D$$D$$D$ $D$ $D$ $D$ $#D$$.D$$3D$$;D$$@D$ $PD$$]D$ $dD$ $oD$$|D$$D$ $cpr_totalmain_loopcpr_md(/," * Physical Quantities at step:",I6)(5X,"Pressure of Nuclei (GPa)",F20.5,I7)(5X,"Pressure Total (GPa)",F20.5,I7)?΍{@ ("Occupations in CPR:")(10F9.6)("NOTE: eigenvalues are not computed without ortho")("Occupations :")(/,3X,"Exact Exchange is turned on ...")(/,3X,'MAIN:',10X,'EKINC (thr)', 10X,'DETOT (thr)',7X,'MAXFORCE (thr)')(3X,'MAIN: ',3(D14.6,1X,D8.1))(3X,'MAIN: convergence achieved for system relaxation')(/5x,"Called by MAIN_LOOP:")total_timeinitialize(/5x,"Called by INIT_RUN:")init_readfilewf_start(/5x,"Called by CPR:")move_electronsmove_ionwf_close_opt(/5x,"Called by WANNIER_MODULES:")wf_initwf_1wf_2ddyn_uortho_u(/5x,"Called by EXACT_EXCHANGE:")exact_exchangeself_vgetpairvexx_gs_setupexx_pairsr_orbitaltotalenergyvl2vgsend_psisendvsend_psi_barriersend_psi_waitgetvofrgetvofr_qlmgetvofr_boundgetvofr_geterhogetvofr_hpotcgexx_cell_derv(/5x,"Called by CELL_DYNAMICS:")formf(/5x,"Called by move_electrons:")rhoofrvofrhodforcecalphinewdnlfl(/5x,"Called by new_ns:")new_ns:forcprojwfc_hubdndtau(/5x,"Called by ortho:")ortho_iterrsgrhosetsigsettausetorthoupdatcgram(/5x,"Small boxes:")rhovfftbset_ccforcecc(/5x,"Low-level routines:")prefornlfqnlsm1nlsm2fftfftsfftwfft_scatterbetagxqradxtmp_clk1tmp_clk2tmp_clk3nlinitinit_dimnewnlinitfrom_scratchfrom_restartnew_nsstrucfcalbec(/5x,"Called by tsvdw:")ts_vdwtsvdw_pairtsvdw_rhotottsvdw_screentsvdw_vefftsvdw_dvefftsvdw_energytsvdw_wfforceALLTOALLInteger overflow when calculating the amount of memory to allocateAllocation would exceed memory limitAttempting to allocate already allocated variable '%s'Attempt to DEALLOCATE unallocated '%s'cpr.f90usrt_tau0At line 341 of file cpr.f90usrt_fionAt line 347 of file cpr.f90At line 350 of file cpr.f90At line 423 of file cpr.f90usrt_taupAt line 424 of file cpr.f90At line 425 of file cpr.f90At line 470 of file cpr.f90pmassAt line 934 of file cpr.f90forcehAt line 965 of file cpr.f90(knN?@@B΍{@@@E#ADۦ$]>,t 2wD ir_&nr_&ic_&nc_& u"_&H%_&n_&nx_&npr_& npc_&$myr_&(myc_&,&_&0_&4#_&8nrl_&<O_&@ZD Nnstu&nspuNnswurnr1u&4nr2u&8nr3u&<`u&@u&D u&Hnplu&Lnnpu&Pnnru&TngluXnwlupnppuippuissu&OuJ{unu@u#u&0&u&4l!u&8u&<F'u@ 0.&r ### 4 0.& ### 4 0.& ### 4 0.& ### 4 0.& ### 4 0.&& ### 4 0.&J ### 4 0.&n ### 4 0.& ### 4 0.& ### 4 0.& ### 4#  *& ** *  q l% xD% xT% x`% vz% v% v% uv' t' t' n' l) k) k2* gv+ gY, e)3 _B3 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