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Input variables, statistics

This document lists the input variables for ABINIT and three post-processors of ABINIT, in order of number of occurrence in the input files provided with the package.

multibinit

35 tests

• prt_model 52
• ncell 42
• dipdip 40
• dipdip_prt, dynamics, ntime, temperature 36
• coefficients, ncoeff 18
• nctime, optcell 14
• fit_coeff, fit_iatom, fit_ncoeff, ngqpt 12
• energy_reference 11
• fit_cutoff 10
• spin_dt, spin_dynamics, spin_init_state, spin_nctime, spin_ntime, spin_temperature 9
• dtion 8
• spin_mag_field 7
• fit_nfixcoeff 6
• fit_fixcoeff 5
• spin_init_qpoint, spin_ntime_pre, spin_write_traj 4
• restartxf, slc_coupling, spin_damping, spin_init_orientation, spin_init_rotate_axis, spin_projection_qpoint, strtarget 3
• bound_model, spin_sia_add, spin_sia_k1amp, spin_sia_k1dir 2
• analyze_anh_pot, bound_cell, bound_cutoff, bound_step, bound_temp, dyn_chksym, dyn_tolsym, latt_friction, latt_taut, opt_coeff, opt_effpot, opt_ncoeff, spin_calc_thermo_obs, spin_temperature_end, spin_temperature_nstep, spin_temperature_start, spin_var_temperature, test_effpot, test_prt_ph 1
• bmass, bound_anhastrain, bound_maxcoeff, bound_rangepower, bound_spcoupling, dipdip_range, fit_anhastrain, fit_bancoeff, fit_efs, fit_generatecoeff, fit_initializedata, fit_nbancoeff, fit_rangepower, fit_spc_maxs, fit_spcoupling, fit_tolmsde, fit_tolmsdf, fit_tolmsdfs, fit_tolmsds, latt_taup, nnos, nqshft, qmass, sel_efs, strfact, tolmxf, ts_option 0

optic

13 tests

• broadening, ddkfile, domega, lin_comp, linel_comp, maxomega, nonlin_comp, num_lin_comp, num_linel_comp, num_nonlin_comp, scissor, tolerance, wfkfile 13

atdep

1 tests

• brav, multiplicity, natom, natom_unitcell, nstep_max, nstep_min, temperature, typat, typat_unitcell, xred_unitcell 1
• amu, angle, bzpath, dosdeltae, enunit, ngqpt1, ngqpt2, ntypat, order, rcut, rprimd, slice, use_ideal_positions 0

anaddb

72 tests

• ifcflag 58
• ngqpt, nph1l 57
• qph1l 56
• nqshft, q1shft 55
• dipdip 54
• brav 51
• ifcout 46
• chneut 41
• dieflag 37
• eivec 35
• ifcana 34
• atifc, natifc 33
• asr, nph2l, qph2l 25
• nqpath, qpath 23
• ng2qpt 21
• elphflag, mustar, thmflag 17
• ntemper, temperinc, tempermin 14
• prtdos 13
• enunit, symdynmat 11
• rfmeth 8
• ep_keepbands, ifltransport, kptrlatt, nchan, ngrids, nwchan, prtnest, selectz, thmtol 7
• elaflag, ep_scalprod, instrflag, ndivsm, telphint 6
• freeze_displ, iatprj_bs, natprj_bs, nlflag, nsphere, piezoflag 5
• q2shft 4
• alphon, band_gap, dostol, ep_extrael, frmax, frmin, nfreq, polflag, prtmbm, ramansr, relaxat, relaxstr 3
• ddb_filepath, elph_fermie, elphsmear, output_file, targetpol 2
• a2fsmear, ddk_filepath, dipquad, dossmear, dossum, ep_b_max, ep_b_min, ep_nqpt, ep_nspline, ep_prt_yambo, ep_qptlist, eph_prefix, flexoflag, gkk_filepath, gkqwrite, gruns_ddbs, gruns_nddbs, istrfix, nstrfix, outboltztrap, outdata_prefix, prt_ifc, prtddb, prtphbands, prtvol, qgrid_type, qrefine, quadquad, rifcsph, symgkq, thermal_supercell, vs_qrad_tolkms 1
• dosdeltae, ep_int_gkk, iatfix, kptrlatt_fine, natfix, outscphon, prtbltztrp, prtfsurf, prtsrlr, use_k_fine 0

abinit

976 tests

• ecut 1053
• nline 1050
• pp_dirpath, pseudos 1049
• natom, typat, znucl 1044
• acell, kpt 1043
• ntypat 1034
• nstep 988
• nband 923
• xred 877
• kptopt 855
• rprim 848
• ndtset 723
• ngkpt 618
• occ 596
• shiftk 585
• occopt 563
• nshiftk 531
• getwfk 511
• diemac 509
• nkpt 508
• tolwfr 502
• ixc 405
• nsym 365
• tolvrs 346
• prtden 342
• iscf 327
• toldfe 321
• tsmear 283
• structure 267
• istwfk 255
• rfdir 253
• wtk 235
• getden 232
• enunit 230
• diemix 227
• prtvol 225
• qpt 220
• nsppol 209
• nbdbuf 205
• nqpt, tnons 202
• pawecutdg 196
• symrel 188
• rfphon 187
• rfatpol 186
• xcart 183
• prtwf 181
• optdriver 158
• intxc 145
• ecutsm 144
• ntime 139
• spinat 135
• ionmov 130
• paral_kgb 129
• prteig 115
• rfelfd 112
• kptnrm 106
• jdtset 104
• nspden 95
• ecuteps, irdwfk, toldff 94
• vel 93
• ecutwfn 90
• tolmxf 88
• nspinor, timopt 83
• amu 80
• getddk 79
• kptgw, nkptgw 78
• ecutsigx 76
• dilatmx 74
• chksymbreak 73
• bdgw, getscr 72
• gw_icutcoul, icutcoul 69
• ngfft 66
• kptrlatt, symsigma 65
• chkprim 64
• dielng, inclvkb, optcell 63
• angdeg 60
• gwpara 59
• charge 56
• natrd 54
• spinmagntarget 53
• gwcalctyp 51
• optforces, %usepaw 50
• lpawu, so_psp, usepawu 49
• nnsclo 48
• udtset 46
• jpawu, upawu 42
• dmatpuopt, localrdwf 41
• berryopt 40
• prtdos 39
• densfor_pred, getwfq, npkpt, optstress, spgroup 37
• awtr, chksymtnons, get1den 35
• fftalg, symchi 34
• densty, get1wf 33
• npband, pawprtvol, ppmfrq 30
• brvltt, natfix, nfreqim, npfft, symmorphi 29
• iatfix, iomode, prtpot 28
• d3e_pert1_atpol, d3e_pert1_dir, d3e_pert1_elfd, d3e_pert1_phon, d3e_pert2_dir, d3e_pert2_elfd, d3e_pert3_dir, d3e_pert3_elfd, dmftbandf, dmftbandi, icoulomb, iprcel, ngqpt, rfstrs, usedmft 27
• ieig2rf, nfreqre, prepanl, smdelta 26
• dmft_iter, dmft_nwli, dmft_nwlo, efield 25
• dmft_solv 24
• zcut 23
• dtion, npsp, vacuum 22
• dmftcheck, getddb, usewvl, vis, wvl_bigdft_comp, wvl_hgrid 21
• ddb_ngqpt, dmft_mxsf, dmft_rslf, eph_task, nscforder, spgroupma, wvl_nprccg 20
• elph2_imagden, ppmodel, ratsph 19
• kptrlen, mbpt_sciss, prtvhxc 18
• accuracy, bs_algorithm, bs_calctype, bs_coulomb_term, bs_coupling, bs_exchange_term, bs_loband, dmft_occnd_imag, prtdensph 17
• boxcutmin, bs_freq_mesh, freqremax, nimage, prtkpt, rcut, tmesh, usexcnhat, wfoptalg 16
• bdeigrf, getqps, kptbounds, ntimimage, output_file, pawmixdg, prtvha, prtvxc 15
• bs_haydock_niter, bs_haydock_tol, builtintest, diemixmag, dmatpawu, dmft_dc, fftgw, istatr, nfreqsp, prtwant, usedmatpu, wvl_crmult, wvl_frmult 14
• diecut, dmftqmc_l, dmftqmc_n, f4of2_sla, getdvdb, imgmov, magcon_lambda, npulayit, pawxcdev, prt1dm, prtphdos, tolrde, tolsym, usekden 13
• autoparal, constraint_kind, dmftqmc_therm, freqspmax, ixcrot, ngfftdg, ortalg, pawspnorb, ph_ngqpt, qptopt, ratsm 12
• boxcenter, dynimage, eph_ngqpt_fine, getdkdk, getxred, ixc_sigma, mdf_epsinf, mdtemp, nbandkss, paral_atom, ph_intmeth, positron, rf2_dkdk, tolrff 11
• bandpp, eph_intmeth, fockdownsampling, getddb_filepath, getdvdb_filepath, gw_qprange, gwcomp, gwencomp, iqpt, irdscr, ixcpositron, kssform, mixprec, nphf, nwfshist, pawovlp, prtefg, rfddk, tolimg, useylm 10
• fxcartfactor, getdelfd, getdkde, getwfk_filepath, getwfkfine, iatsph, ndivk, ndivsm, nonlinear_info, posocc, prtkden, rf2_dkde, rhoqpmix, strfact, usepead, w90iniprj, w90prtunk 9
• chkdilatmx, diegap, dielam, getxcart, gwmem, irdden, mixalch, mqgrid, natsph, nbandhf, nkpthf, ntypalch, quadmom, shiftq, spgaxor 8
• bdberry, bs_hayd_term, chrgat, dmft_t2g, dmftctqmc_gmove, freqspmin, irdddk, isecur, mqgriddg, nnsclohf, pawoptmix, prtfc, tfkinfunc, ucrpa, use_gpu_cuda, vdw_xc 7
• asr, efmas, efmas_bands, efmas_ntheta, freqremin, nomegasf, nshiftq, posnstep, prtgeo, prtvolimg, sigma_erange, spmeth 6
• bs_interp_kmult, bs_interp_mode, ddamp, dmft_read_occnd, dmftctqmc_order, efmas_calc_dirs, efmas_dirs, efmas_n_dirs, fockoptmix, irdwfq, kberry, nloc_alg, pawprtdos, ph_nqpath, ph_qpath, prepgkk, prtgkk, prtsuscep, scalecart, tphysel, ucrpa_bands, use_nonscf_gkk, wvl_ngauss 5
• bfield, bs_interp_method, bs_nstates, dfield, dmftctqmc_basis, dmftctqmc_check, dmftctqmc_correl, dmftctqmc_grnns, dmftctqmc_meas, dmftctqmc_mov, dmftctqmc_mrka, eph_doping, eph_extrael, eph_stern, fband, getbseig, getbsreso, getcell, getpot_filepath, gpu_linalg_limit, gwgamma, hyb_mixing, iprcfc, irdbsreso, jellslab, macro_uj, nberry, npimage, nppert, paral_rf, pawcpxocc, pawfatbnd, pawnphi, pawntheta, pawoptosc, postoldfe, prtebands, prtgden, prtlden, prtnest, prtvclmb, prtvpsp, rfasr, rfmagn, slabwsrad, slabzbeg, slabzend, use_slk, vdw_tol, wfk_task 4
• chkexit, dmft_entropy, dmft_nlambda, dmft_tolfreq, dmftctqmc_triqs_nleg, effmass_free, einterp, fermie_nest, frzfermi, getden_filepath, getwfkfine_filepath, gpu_devices, gw_customnfreqsp, gw_freqsp, hyb_mixing_sr, iatcon, iatfixz, irdqps, mep_mxstep, mep_solver, natcon, natfixz, nconeq, nobj, nucdipmom, objaat, objan, objarf, objatr, ph_ndivsm, ph_wstep, posdoppler, prtatlist, prtcif, prtelf, prteliash, prtnabla, prtstm, recefermi, recnpath, recnrec, recptrott, recrcut, rectolden, red_efield, restartxf, %rprimd, sigma_ngkpt, spgorig, strprecon, strtarget, tim1rev, use_gemm_nonlop, vdw_nfrag, vdw_supercell, vdw_typfrag, wfmix, wtatcon 3
• atvshift, chempot, chneut, cpus, ddb_shiftq, delayperm, dipdip, dmft_charge_prec, dmftqmc_seed, dosdeltae, eph_fermie, friction, getgam_eig2nkq, getocc, getsuscep, gwls_band_index, gwls_kmax_complement, gwls_recycle, gwls_stern_kmax, hyb_range_dft, hyb_range_fock, iatfixx, iatfixy, imgwfstor, indata_prefix, irandom, ird1wf, irdbseig, irdddb, irdsuscep, istatimg, maxestep, natfixx, natfixy, natvshift, nbdblock, nc_xccc_gspace, nctime, neb_algo, nkpath, nnos, nomegasi, np_slk, npspinor, nzchempot, objaax, objaro, objbat, objbn, objbrf, objbtr, omegasimax, orbmag, outdata_prefix, pawujat, pawujrad, pawujv, ph_nqshift, ph_qshift, ph_smear, pitransform, plowan_bandf, plowan_bandi, plowan_compute, plowan_iatom, plowan_it, plowan_lcalc, plowan_natom, plowan_nbl, plowan_nt, plowan_projcalc, plowan_realspace, prepalw, prtbltztrp, prtefmas, prtfsurf, qmass, qprtrb, %qptn, qptnrm, recgratio, red_dfield, red_efieldbar, rfmeth, rifcsph, signperm, symafm, vprtrb 2
• adpimd, adpimd_gamma, algalch, auxc_ixc, auxc_scal, berrysav, berrystep, bmass, brav, bs_interp_m3_width, bs_interp_prep, bs_interp_rl_nb, bxctmindg, cd_customnimfrqs, cd_frqim_method, cd_full_grid, cd_halfway_freq, cd_imfrqs, cd_max_freq, cineb_start, d3e_pert2_atpol, d3e_pert2_phon, d3e_pert3_atpol, d3e_pert3_phon, dfpt_sciss, dmatudiag, dmft_tollc, dvdb_add_lr, dvdb_qcache_mb, dvdb_qdamp, dvdb_rspace_cell, efmas_deg, efmas_deg_tol, efmas_dim, eph_frohlichm, eph_fsewin, eph_fsmear, eph_mustar, eph_phrange, eph_phwinfact, eph_restart, eph_tols_idelta, eph_transport, eshift, esmear, exchmix, exchn2n3d, expert_user, extrapwf, f6of2_sla, fftcache, freqim_alpha, ga_fitness, ga_n_rules, ga_opt_percent, ga_rules, genafm, getefmas, getkerange_filepath, getscr_filepath, getsigeph_filepath, getwfq_filepath, goprecon, goprecprm, gw_frqim_inzgrid, gw_frqre_inzgrid, gw_frqre_tangrid, gw_invalid_freq, gw_nqlwl, gw_qlwl, gw_sigxcore, gwaclowrank, gwls_correlation, gwls_diel_model, gwls_exchange, gwls_first_seed, gwls_kmax_analytic, gwls_kmax_numeric, gwls_kmax_poles, gwls_list_proj_freq, gwls_model_parameter, gwls_n_proj_freq, gwls_npt_gauss_quad, gwls_nseeds, gwls_print_debug, gwrpacorr, hmcsst, hmctt, iboxcut, ird1den, irdwfkfine, istatshft, jfielddir, ldaminushalf, lexexch, lotf_classic, lotf_nitex, lotf_nneigx, lotf_version, lw_flexo, lw_qdrpl, magconon, max_ncpus, maxnsym, mdwall, mem_test, mixesimgf, natsph_extra, neb_spring, nloc_mem, nomegasrd, noseinert, npvel, nqptdm, objbax, objbro, omegasrdmax, optnlxccc, pawlcutd, pawlmix, pawnhatxc, pawnzlm, pawprtwf, pawstgylm, pawusecp, pimass, pimd_constraint, polcen, postoldff, prtbbb, prtdipole, prtdosm, prtfull1wf, prtgsr, prtkbff, prtphbands, prtphsurf, prtposcar, prtprocar, prtpsps, prtspcur, prtwf_full, prtxml, ptcharge, pvelmax, pw_unbal_thresh, qptdm, qptrlatt, random_atpos, ratsph_extra, rectesteg, sigma_bsum_range, sigma_nshiftk, sigma_shiftk, slk_rankpp, spbroad, spnorbscl, stmbias, string_algo, supercell_latt, symv1scf, td_maxene, td_mexcit, tfw_toldfe, tl_nprccg, tl_radius, tmpdata_prefix, tolmxde, transport_ngkpt, ucrpa_window, useexexch, usepotzero, vaclst, vacnum, vacwidth, vcutgeo, vdw_tol_3bt, wtq, xc_denpos, xc_tb09_c, xredsph_extra, xyzfile, zeemanfield 1
• bs_eh_cutoff, cd_subset_freq, cpuh, cpum, diismemory, dmft_kspectral_func, eph_ecutosc, eph_np_pqbks, eph_use_ftinterp, fock_icutcoul, ga_algor, getbscoup, gethaydock, getvel, gw_nstep, gw_sctype, gw_toldfeig, irdbscoup, irddvdb, irdefmas, irdhaydock, irdvdw, %kptns, %kptns_hf, %mband, %mgfft, %mgfftdg, %mpw, %natpawu, %ndynimage, %nelect, %nfft, %nfftdg, nfreqmidm, normpawu, %npspalch, %npweps, npwkss, %npwsigx, %npwwfn, %ntyppure, papiopt, pawcross, pawprt_b, pawprt_k, pawprtden, pawsushat, prepscphon, prtvdw, %ptgroupma, rf2_pert1_dir, rf2_pert2_dir, rfuser, scphon_supercell, scphon_temp, symdynmat, %usefock, %userec, useria, userib, useric, userid, userie, userra, userrb, userrc, userrd, userre, vdw_df_acutmin, vdw_df_aratio, vdw_df_damax, vdw_df_damin, vdw_df_dcut, vdw_df_dratio, vdw_df_dsoft, vdw_df_gcut, vdw_df_ndpts, vdw_df_ngpts, vdw_df_nqpts, vdw_df_nrpts, vdw_df_nsmooth, vdw_df_phisoft, vdw_df_qcut, vdw_df_qratio, vdw_df_rcut, vdw_df_rsoft, vdw_df_threshold, vdw_df_tolerance, vdw_df_tweaks, vdw_df_zab, vel_cell, %xclevel, %ziontypat 0

aim

5 tests

• atom, crit, gpsurf, inpt, irho, maxatd, nphi, ntheta, surf 5
• maxcpd, nsa, nsb, nsc, phimax, thetamax 4
• lgrad, lgrad2, lstep, lstep2 3
• atrad, radstp, ratmin 2
• dpclim, ivol 1
• coff1, coff2, denout, dltyp, foldep, follow, folstp, lapout, ngrid, phimin, rsurdir, rsurf, scal, thetamin, vpts 0