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SHCS[usage: uspp2upf "file-to-be-converted"uspp2upfoldunformatted.UPF('Output PP file in UPF format : ',a)unknownformattedDuspp2upf.f90vanderbilt.f90nnlzpswwnlpseepsrinner_rcbetaqfunc_ddd0dddqqq_lll_eeeqfcoef_iptypevloc_rho_atc_rho_at_vlocrab_wfelsepseulchinnsrcutrcutuselswocwlchiwrabrho_atcvloc0ikk2lllbetardionqqqqfuncrinnerqfcoefrho_atInteger overflow when calculating the amount of memory to allocateAttempting to allocate already allocated variable '%s'At line 44 of file vanderbilt.f90Allocation would exceed memory limitAt line 62 of file vanderbilt.f90At line 74 of file vanderbilt.f90At line 79 of file vanderbilt.f90At line 80 of file vanderbilt.f90At line 81 of file vanderbilt.f90At line 82 of file vanderbilt.f90At line 83 of file vanderbilt.f90At line 84 of file vanderbilt.f90At line 85 of file vanderbilt.f90At line 86 of file vanderbilt.f90At line 97 of file vanderbilt.f90At line 101 of file vanderbilt.f90At line 104 of file vanderbilt.f90At line 110 of file vanderbilt.f90At line 114 of file vanderbilt.f90At line 120 of file vanderbilt.f90At line 146 of file vanderbilt.f90At line 166 of file vanderbilt.f90At line 176 of file vanderbilt.f90At line 181 of file vanderbilt.f90At line 182 of file vanderbilt.f90At line 183 of file vanderbilt.f90At line 184 of file vanderbilt.f90At line 185 of file vanderbilt.f90At line 186 of file vanderbilt.f90At line 187 of file vanderbilt.f90At line 188 of file vanderbilt.f90At line 200 of file vanderbilt.f90At line 206 of file vanderbilt.f90At line 209 of file vanderbilt.f90At line 215 of file vanderbilt.f90At line 219 of file vanderbilt.f90At line 226 of file vanderbilt.f90At line 255 of file vanderbilt.f90At line 256 of file vanderbilt.f90At line 257 of file vanderbilt.f90Attempt to DEALLOCATE unallocated '%s'At line 267 of file vanderbilt.f90At line 287 of file vanderbilt.f90At line 315 of file vanderbilt.f90At line 318 of file vanderbilt.f90At line 320 of file vanderbilt.f90At line 324 of file vanderbilt.f90At line 326 of file vanderbilt.f90At line 329 of file vanderbilt.f90At line 331 of file vanderbilt.f90At line 334 of file vanderbilt.f90At line 335 of file vanderbilt.f90At line 337 of file vanderbilt.f90At line 339 of file vanderbilt.f90At line 341 of file vanderbilt.f90At line 343 of file vanderbilt.f90At line 345 of file vanderbilt.f90At line 347 of file vanderbilt.f90At line 350 of file vanderbilt.f90At line 354 of file vanderbilt.f90At line 356 of file vanderbilt.f90At line 357 of file vanderbilt.f90At line 359 of file vanderbilt.f90At line 361 of file vanderbilt.f90At line 363 of file vanderbilt.f90At line 365 of file vanderbilt.f90At line 367 of file vanderbilt.f90(a)Pseudopotential successfully read(a20,3f15.9)("Generated using Vanderbilt code, version ",3i3)("Author: unknown Generation date:",3i5)("Automatically converted from original format")(i1,a1)WARNING: verify info on atomic wavefunctionsI got this exfactI got the PBEsol correctly("convert: wrong xc in pseudopotential ",f12.6)@@@@@@-DT!)@write_upf.f90(//a12)(1p4e19.11)(a13)("write_pseudo_rhoatom: error writing pseudopotential file")(//a10)(a2,i5,f6.2,t24,a)Wavefunction(a11)("write_pseudo_pswfc: error writing pseudopotential file")(//a13)(t3,a9)(2i5,t24,a)Beta L(i6)(t3,a10)(t3,a8)(1p,i5,t24,a)Number of nonzero Dij(1p,2i5,e19.11)US(i5,a) nqf. If not zero, Qij's inside rinner are computed using qfcoef's(t5,a11)(i5,1pe19.11)(t5,a12)(3i5,t24,a)i j (l(j))(1pe19.11,t24,a)Q_int(a14)("write_pseudo_nl: error writing pseudopotential file")("write_pseudo_local: error writing pseudopotential file")(//a9)(a10)("write_pseudo_nlcc: error writing pseudopotential file")(t3,a6)(t3,a7)("write_pseudo_mesh: error writing pseudopotential file")(4a5)(//a11)(t3,i2,t24,a)Version Number(t3,a,t24,a)ElementNC(a5,t24,a)Norm - Conserving pseudopotentialUltrasoft pseudopotential("write_pseudo_header: unknown PP type ",A)(l5,t24,a)Nonlinear Core Correction(a,t24,a4,a) Exchange-Correlation functional(f17.11,t24,a)Z valenceTotal energy(2f11.5,t24,a)Suggested cutoff for wfc and rho(i5,t24,a)Max angular momentum componentNumber of points in meshNumber of Wavefunctions, Number of Projectors(a,t24,a2,a3,a6) Wavefunctionsnllocc(a12)(t24,a2,i3,f6.2)("write_pseudo_header: error writing pseudopotential file")(a9)(a)(i5,t14,a)The Pseudo was generated with a Full-Relativistic CalculationThe Pseudo was generated with a Scalar-Relativistic CalculationThe Pseudo was generated with a Non-Relativistic CalculationLocal Potential cutoff radius(a2,2a3,a6,3a19) pnRcutRcut USE pseu(a2,2i3,f6.2,3f19.11)("write_pseudo_comment: error writing pseudopotential file")("*** PLEASE TEST BEFORE USING!!! ***")("review the content of the PP_INFO fields")-q=read_upf.f90No blockscan_begin(a) ")(a)(A,": reading file name ",A)(A,": file not found")(A,": too many arguments ",i4)inpfile.f90abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ;X'+,/0Ptq88@hxxxLh\0 ( H4 x  x( @ ` X   0 D X X|  H  8 < (T   ! #$&h'8)h+4,tX--X/0D122X45P86x6X79x<@?@AEDHHN HSPW\(axa8aTap(eXhhk<xn|hsxvy<z|؇<|x<|ؓ$<(xHh؟ d8(0ȧpx8 hLh8h0`8h, ȵ 0!!!(8"H"h"@#`##H#$$H$%P%8d%xx%%8%zR|  "0F J tx?;*2$"(@'AA AAFll&4AB @* AA AAKV AA AAA @AA AAF AA AAH @LCAA AAF AA AAH @0GAA AAF AA AAH tLKC0{ A 8LKC0{ A lL/C0_ A @L&AA AAF[ AA AAG @ lO&AA AAFV AA AAD @PXRAA AAFD AA AAF <$UAA AAF AA AAE <WAA AAF AA AAB <\AA AAF AA AAA <Tt_AA AAF AA AAA <DbTAA AAC`P AA AAE <dcAA AAF AA AAB <hAA AAF AA AAE <TjAA AAF AA AAB <oAA AAF AA AAA <drAA AACp^ AA AAG <sAA AAF AA AAA <TvAA AAC`Z AA AAC <wAF AAC` AA AAE 4tyAA AC0 A AAE < z'AA AACp AA AAF ,L {AA C@  AAA |{3C0o@{*AA AAF AA AAC @}AA AAC AA AAE @,AA AAC` AA AAE <`h/AA AACp AA AAD 4XAA AC@ A AAE 3C0o@"AA AAF AA AAC @4AA AAC AA AAG @xpoAA AACT AA AAA <'AA AACp AA AAF ,AA C@  AAA , 3C0o@D4oAA AACT AA AAA <`'AA AACp AA AAF ,PAA C@  AAA Њ=C0y<C0l A ,7C0g A H@KC0{ A <dtAA AAC` AA AAB OC@ A H?C0o A l3C0o#C0_4 yAA AC0W A AAA @DAA AAF AA AAF ,AA C`  AAH MAC@GAP0AA AACPT AA AAA AA AAP00AA AACPT AA AAA AA AAPd0AA AACPT AA AAA AA AAT@AA AAC`h AA AAE c AA AAA T0AA AAC`h AA AAE c AA AAA TМAA AACp? 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!!!Tuspp2upf.f90MAIN__options.7.1851crtstuff.c__JCR_LIST__deregister_tm_clonesregister_tm_clones__do_global_dtors_auxcompleted.6591__do_global_dtors_aux_fini_array_entryframe_dummy__frame_dummy_init_array_entryvanderbilt.f90convel.2658write_upf.f90exc.2237corr.2235gradx.2241gradc.2239read_upf.f90__pseudo_mod_MOD_scan_begin__pseudo_mod_MOD_scan_end__pseudo_mod_MOD_scan_begin.constprop.1__pseudo_mod_MOD_scan_begin.constprop.2__pseudo_mod_MOD_scan_begin.constprop.4__pseudo_mod_MOD_scan_end.constprop.6__pseudo_mod_MOD_mesh__pseudo_mod_MOD_r__pseudo_mod_MOD_nlcc__pseudo_mod_MOD_vloc0__pseudo_mod_MOD_nbeta__pseudo_mod_MOD_lll__pseudo_mod_MOD_ikk2__pseudo_mod_MOD_betar__pseudo_mod_MOD_ntwfc__pseudo_mod_MOD_chi__pseudo_mod_MOD_rho_at__pseudo_mod_MOD_rho_atc__pseudo_mod_MOD_dion__pseudo_mod_MOD_rab__pseudo_mod_MOD_psd__pseudo_mod_MOD_pseudotype__pseudo_mod_MOD_isus__pseudo_mod_MOD_dft__pseudo_mod_MOD_zp__pseudo_mod_MOD_etotps__pseudo_mod_MOD_ecutwfc__pseudo_mod_MOD_ecutrho__pseudo_mod_MOD_lmax__pseudo_mod_MOD_els__pseudo_mod_MOD_lchi__pseudo_mod_MOD_oc__pseudo_mod_MOD_qqq__pseudo_mod_MOD_qfunc__pseudo_mod_MOD_nqf__pseudo_mod_MOD_nqlc__pseudo_mod_MOD_qfcoef__pseudo_mod_MOD_rinnererror_handler.f90__error_handler_MOD_routine_chainio_global.f90mp.f90msglen.5931mp_base.f90mp_world.f90__mp_world_MOD_library_modefind_free_unit.f90inpfile.f90ierr.1823matches.f90capital.f90__FRAME_END____JCR_END___GLOBAL_OFFSET_TABLE___init_array_end__init_array_start_DYNAMICdata_start__upf_MOD_igcc_gfortran_os_error@@GFORTRAN_1.0parallel_max_integer_reduce_base_real_to___mp_MOD_mp_put_rm__mp_MOD_mp_max_iv__vanderbilt_MOD_wwnlps__io_global_MOD_meta_ionode_id__mp_MOD_mp_alltoall_c3d__upf_MOD_relwrite_upf_v1__gfortran_st_flush@@GFORTRAN_1.0_gfortran_transfer_character_write@@GFORTRAN_1.4mpi_reduce___mp_MOD_mp_gatherv_iv__upf_MOD_icorr__io_global_MOD_ionode_id__upf_MOD_qqq__libc_csu_fini__mp_MOD_mp_put_i1_gfortran_st_open@@GFORTRAN_1.0__mp_MOD_mp_bcast_r4d__mp_MOD_mp_put_ivwrite_pseudo_pswfc___upf_MOD_lll_start__mp_MOD_mp_max_rv_gfortran_st_write_done@@GFORTRAN_1.0__mp_MOD_mp_min_r__mp_MOD_mp_root_sum_rm__upf_MOD_lmax__mp_MOD_mp_get_rmread_vdb___mp_MOD_mp_put_cv_gfortran_string_len_trim@@GFORTRAN_1.0__vanderbilt_MOD_idmy__vanderbilt_MOD_rinner1___mp_MOD_mp_bcast_iv__mp_MOD_mp_end__gmon_start___Jv_RegisterClasses__upf_MOD_pseudotype__upf_MOD_qfcoef_fp_hw__mp_MOD_mp_circular_shift_left_r2drealloc@@GLIBC_2.0__vanderbilt_MOD_zp___mp_MOD_mp_circular_shift_left_i1__vanderbilt_MOD_keypsmpi_comm_create___upf_MOD_etotpsmatches_get_file___vanderbilt_MOD_iptype__vanderbilt_MOD_rab_mpi_comm_split__fini__upf_MOD_nbeta__upf_MOD_elswmpi_abort___mp_world_MOD_world_commmpi_get_count_remove_comments_from_string_mpi_fortran_bottom___upf_MOD_betar__mp_MOD_mp_bcast_cv__mp_MOD_mp_sum_cm__vanderbilt_MOD_vloc___mp_MOD_mp_bcast_rm_gfortran_st_inquire@@GFORTRAN_1.0__vanderbilt_MOD_vlocmemset@@GLIBC_2.0__vanderbilt_MOD_nlc__vanderbilt_MOD_rho_at___mp_MOD_mp_report__mp_MOD_mp_min_rv__error_handler_MOD_error_mem__vanderbilt_MOD_iver__libc_start_main@@GLIBC_2.0bcast_real___vanderbilt_MOD_title__vanderbilt_MOD_nvalps__error_handler_MOD_init_error__mp_MOD_mp_bcast_l__upf_MOD_dion__mp_MOD_mp_get_comm_null__mp_MOD_mp_sum_c1__mp_MOD_mp_min_i__upf_MOD_igcxmpi_comm_rank_mpi_fortran_status_ignore_capital__gfortran_iargc@@GFORTRAN_1.0bcast_logical_mpi_sendrecv_replace___upf_MOD_rcut__upf_MOD_lchi__mp_MOD_mp_gather_iv__mp_MOD_mp_bcast_lmmpi_gather___mp_MOD_mp_sum_im__upf_MOD_rcutus_ITM_deregisterTMCloneTablewrite_pseudo_header_mpi_fortran_statuses_ignore___mp_MOD_mp_abort__mp_MOD_mp_sum_rv__mp_MOD_mp_set_displs_IO_stdin_used__io_global_MOD_ionode__upf_MOD_chi__vanderbilt_MOD_ptryc__vanderbilt_MOD_mesh___upf_MOD_generatedfree@@GLIBC_2.0__mp_MOD_mp_bcast_c4dmpi_initialized__gfortran_stop_string@@GFORTRAN_1.0__upf_MOD_date_author__mp_MOD_mp_gatherv_im__mp_MOD_mp_sum_i1mpi_fortran_in_place___mp_MOD_mp_sum_iv_ITM_registerTMCloneTable__data_start_gfortran_st_read_done@@GFORTRAN_1.0reduce_base_integer__gfortran_set_options@@GFORTRAN_1.0imatches___mp_MOD_mp_root_sum_cmparallel_max_real__gfortran_set_args@@GFORTRAN_1.0__mp_MOD_mp_bcast_rv__vanderbilt_MOD_rpcor__mp_MOD_mp_size_gfortran_internal_unpack@@GFORTRAN_1.0__vanderbilt_MOD_exfact__upf_MOD_vloc0__mp_MOD_mp_gatherv_rv__mp_world_MOD_mpime__mp_MOD_mp_circular_shift_left_c2d__mp_world_MOD_mp_world_startbcast_integer__gfortran_concat_string@@GFORTRAN_1.0write_pseudo_nl__gfortran_runtime_error_at@@GFORTRAN_1.0__vanderbilt_MOD_eee__upf_MOD_comment__mp_MOD_mp_sum_ct__mp_world_MOD_root__mp_world_MOD_nprocmpi_group_free___mp_MOD_mp_group_create__mp_MOD_mp_gather_i1__mp_MOD_mp_circular_shift_left_i2write_pseudo_rhoatom__gfortran_transfer_integer@@GFORTRAN_1.0memcpy@@GLIBC_2.0__x86.get_pc_thunk.bx__upf_MOD_qfuncisnumeric___mp_MOD_mp_get_cv_gfortran_st_close@@GFORTRAN_1.0__vanderbilt_MOD_qtrycparallel_min_real___vanderbilt_MOD_irel__upf_MOD_ikk2_gfortran_runtime_error@@GFORTRAN_1.0__TMC_END____vanderbilt_MOD_dddmpi_fortran_argv_null___mp_MOD_mp_max_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