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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.

optic

7 tests

• broadening, ddkfile, domega, lin_comp, maxomega, nonlin_comp, num_lin_comp, num_nonlin_comp, scissor, tolerance, wfkfile 7

anaddb

65 tests

• nph1l 55
• qph1l 54
• ifcflag, ngqpt 52
• brav, nqshft, q1shft 50
• dipdip 48
• ifcout 45
• chneut 39
• dieflag 36
• eivec 35
• ifcana 34
• atifc, natifc 33
• nph2l, qph2l 21
• asr 20
• nqpath, qpath 19
• elphflag, mustar, ng2qpt, thmflag 17
• ntemper, temperinc, tempermin 14
• enunit, symdynmat 11
• prtdos 9
• rfmeth 8
• ep_keepbands, ifltransport, kptrlatt, nchan, ngrids, nwchan, prtnest, selectz, thmtol 7
• elaflag, ep_scalprod, instrflag, 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
• elph_fermie, elphsmear, ndivsm, targetpol 2
• a2fsmear, dossmear, dossum, ep_b_max, ep_b_min, ep_nqpt, ep_nspline, ep_prt_yambo, ep_qptlist, gkqwrite, gruns_ddbs, gruns_nddbs, istrfix, nstrfix, outboltztrap, prt_ifc, prtddb, prtphbands, prtvol, qgrid_type, qrefine, rifcsph, symgkq, thermal_supercell, vs_qrad_tolkms 1
• atftol, dosdeltae, ep_int_gkk, iatfix, kptrlatt_fine, natfix, outscphon, prtbltztrp, prtfsurf, prtsrlr, use_k_fine 0

abinit

896 tests

• ecut, natom, typat, znucl 973
• acell 972
• nline 970
• kpt 969
• ntypat 963
• nstep 925
• nband 850
• xred 813
• kptopt 801
• rprim 793
• ndtset 655
• occ 558
• ngkpt 549
• occopt 528
• shiftk 520
• nkpt 496
• diemac 489
• nshiftk 469
• getwfk 459
• tolwfr 454
• ixc 386
• nsym 359
• prtden 323
• toldfe 313
• tolvrs 302
• iscf 300
• tsmear 266
• istwfk 246
• wtk 237
• enunit 232
• rfdir 229
• diemix 227
• prtvol 208
• getden 206
• qpt 191
• nqpt 188
• nbdbuf 186
• symrel 185
• nsppol 182
• prtwf 170
• pawecutdg, rfphon 168
• rfatpol 167
• tnons 165
• xcart 156
• intxc 148
• ntime 133
• optdriver 129
• ionmov, paral_kgb 124
• ecutsm 123
• spinat 121
• prteig 114
• kptnrm 109
• ecutwfn 96
• irdwfk 94
• ecuteps 93
• toldff, vel 92
• jdtset, rfelfd 91
• chksymbreak, tolmxf 86
• nspden 82
• amu 81
• timopt 80
• ecutsigx 76
• dilatmx 74
• getscr, nspinor 73
• kptgw, nkptgw 72
• bdgw 67
• icutcoul 66
• getddk, ngfft 65
• optcell 62
• inclvkb, kptrlatt 61
• chkprim, dielng 60
• angdeg 59
• gwpara 57
• natrd 54
• optforces 50
• gwcalctyp 48
• spinmagntarget 45
• charge, lpawu, %usepaw, usepawu 44
• nnsclo, so_psp 43
• udtset 42
• localrdwf 41
• berryopt 40
• optstress, prtdos 38
• getwfq, jpawu, spgroup, upawu 37
• dmatpuopt, npkpt 36
• densfor_pred 35
• awtr, fftalg 34
• densty, ppmfrq 33
• symchi 32
• brvltt, icoulomb, npband, symmorphi 29
• iomode, npfft 28
• iprcel, nfreqim, xangst 27
• ieig2rf, rfstrs, smdelta 26
• natfix, nfreqre, prtpot 25
• iatfix, pawprtvol, symsigma 24
• dmftbandf, dmftbandi, get1den, usedmft, usewvl, wvl_bigdft_comp, wvl_hgrid 23
• dmft_iter, dmft_nwli, dmft_nwlo, efield, npsp, nscforder, vacuum, wvl_nprccg 22
• dmft_solv, get1wf 21
• spgroupma, vis 20
• elph2_imagden, ppmodel 19
• d3e_pert1_atpol, d3e_pert1_dir, d3e_pert1_elfd, d3e_pert1_phon, d3e_pert2_dir, d3e_pert2_elfd, d3e_pert3_dir, d3e_pert3_elfd, dmftcheck, dtion, mbpt_sciss, prtvhxc, zcut 18
• bs_algorithm, bs_calctype, bs_coulomb_term, bs_coupling, bs_exchange_term, bs_loband, dmft_mxsf, dmft_rslf, kptrlen, prepanl, prtdensph 17
• accuracy, bs_freq_mesh, prtkpt, wfoptalg, wvl_crmult, wvl_frmult 16
• bdeigrf, freqremax, getqps, pawmixdg 15
• bs_haydock_niter, bs_haydock_tol, builtintest, diemixmag, fftgw, istatr, prtvha, prtvxc, rcut 14
• diecut, dmatpawu, kptbounds, prt1dm, prtwant, usedmatpu 13
• ixcrot, nimage, npulayit, ortalg, qptopt, usexcnhat 12
• autoparal, boxcenter, getxred, imgmov, mdf_epsinf, ngfftdg, ngqpt, ntimimage, positron, usekden 11
• dmft_dc, dmftqmc_l, dmftqmc_n, fockdownsampling, gwcomp, gwencomp, iqpt, ixc_sigma, ixcpositron, nfreqsp, nphf, nwfshist, prtefg 10
• dmftqmc_therm, dynimage, f4of2_sla, iatsph, irdscr, isecur, mdtemp, nbandkss, ndivk, paral_atom, pawspnorb, posocc, prtkden, rhoqpmix, strfact, tolrff 9
• chkdilatmx, diegap, dielam, freqspmax, getxcart, gwmem, irdden, kssform, mixalch, natsph, nbandhf, nkpthf, ntypalch, quadmom, shiftq, spgaxor, w90iniprj, w90prtunk 8
• bandpp, bdberry, bs_hayd_term, fxcartfactor, irdddk, mqgrid, pawoptmix, pawovlp, ratsph, tolimg, use_gpu_cuda, useylm, vdw_xc, wvl_ngauss 7
• asr, boxcutmin, freqspmin, getwfkfine, gw_qprange, mqgriddg, ndivsm, nnsclohf, nomegasf, nshiftq, posnstep, prtgeo, prtvolimg, spmeth 6
• bs_interp_mode, ddamp, dmft_read_occnd, dmft_t2g, freqremin, getddb, irdwfq, kberry, nloc_alg, pawprtdos, prepgkk, prtfc, prtgkk, prtsuscep, tfkinfunc, ucrpa, use_nonscf_gkk 5
• bfield, bs_interp_kmult, bs_interp_method, bs_nstates, ddb_ngqpt, dfield, dmftctqmc_basis, dmftctqmc_check, dmftctqmc_correl, dmftctqmc_gmove, dmftctqmc_grnns, dmftctqmc_meas, dmftctqmc_mov, dmftctqmc_mrka, dmftctqmc_order, fband, fockoptmix, getbseig, getbsreso, getcell, gpu_linalg_limit, gwgamma, hyb_mixing, iprcfc, irdbsreso, jellslab, macro_uj, nberry, npimage, nppert, paral_rf, postoldfe, prtgden, prtlden, prtnest, prtvclmb, prtvpsp, rfasr, rfmagn, slabwsrad, slabzbeg, slabzend, ucrpa_bands, use_slk, vdw_tol 4
• cpus, dmft_entropy, dmft_nlambda, effmass_free, efmas, efmas_bands, efmas_ntheta, eph_ngqpt_fine, eph_task, fermie_nest, frzfermi, gpu_devices, gw_customnfreqsp, gw_freqsp, hyb_mixing_sr, iatcon, irandom, irdqps, natcon, nconeq, nobj, objaat, objan, objarf, objatr, pawcpxocc, pawfatbnd, pawoptosc, ph_ngqpt, pitransform, posdoppler, prtcif, prtebands, prtelf, prtnabla, prtstm, recefermi, recnpath, recnrec, recptrott, recrcut, rectolden, red_efield, restartxf, spgorig, strprecon, strtarget, tim1rev, tphysel, vdw_nfrag, vdw_supercell, vdw_typfrag, wfmix, wtatcon 3
• atvshift, chempot, chkexit, ddb_shiftq, delayperm, dmft_tolfreq, dmftctqmc_triqs_nleg, dmftqmc_seed, dosdeltae, efmas_calc_dirs, efmas_dirs, efmas_n_dirs, einterp, friction, getgam_eig2nkq, getocc, getsuscep, gwls_band_index, gwls_kmax_complement, gwls_recycle, gwls_stern_kmax, hyb_range_dft, hyb_range_fock, iatfixx, iatfixy, iatfixz, ird1wf, irdbseig, irdddb, irdsuscep, istatimg, maxestep, natfixx, natfixy, natfixz, natvshift, nbdblock, nc_xccc_gspace, nctime, nkpath, nnos, np_slk, npspinor, nucdipmom, nzchempot, objaax, objaro, objbat, objbn, objbrf, objbtr, pawujat, pawujrad, pawujv, ph_intmeth, ph_ndivsm, ph_nqpath, ph_nqshift, ph_qpath, ph_qshift, ph_smear, ph_wstep, pimass, plowan_bandf, plowan_bandi, plowan_compute, plowan_iatom, plowan_it, plowan_lcalc, plowan_natom, plowan_nbl, plowan_nt, plowan_projcalc, plowan_realspace, prtbltztrp, prtfsurf, prtphdos, qmass, qprtrb, %qptn, qptnrm, recgratio, red_dfield, red_efieldbar, signperm, tmesh, tolrde, tolsym, use_gemm_nonlop, vprtrb 2
• adpimd, adpimd_gamma, algalch, auxc_ixc, auxc_scal, berrysav, berrystep, bmass, 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, chneut, cineb_start, d3e_pert2_atpol, d3e_pert2_phon, d3e_pert3_atpol, d3e_pert3_phon, dfpt_sciss, dipdip, dmatudiag, dmft_tollc, efmas_deg, efmas_deg_tol, efmas_dim, eph_extrael, eph_fermie, eph_fsewin, eph_fsmear, eph_intmeth, eph_mustar, eph_transport, eshift, esmear, exchmix, exchn2n3d, extrapwf, f6of2_sla, fftcache, freqim_alpha, ga_fitness, ga_n_rules, ga_opt_percent, ga_rules, genafm, goprecon, goprecprm, gw_frqim_inzgrid, gw_frqre_inzgrid, gw_frqre_tangrid, gw_invalid_freq, gw_nqlwl, gw_qlwl, gw_sigxcore, 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, iboxcut, ird1den, irdwfkfine, istatshft, jfielddir, ldaminushalf, lexexch, lotf_classic, lotf_nitex, lotf_nneigx, lotf_version, magcon_lambda, magconon, max_ncpus, maxnsym, mdwall, mem_test, mep_mxstep, mep_solver, natsph_extra, neb_algo, neb_spring, nloc_mem, nomegasi, nomegasrd, noseinert, npvel, nqptdm, objbax, objbro, omegasimax, omegasrdmax, optnlxccc, orbmag, pawlcutd, pawlmix, pawnhatxc, pawnphi, pawntheta, pawnzlm, pawprtwf, pawstgylm, pawusecp, pawxcdev, pimd_constraint, polcen, postoldff, prtatlist, prtbbb, prtdipole, prtdosm, prtgsr, prtphbands, prtphsurf, prtposcar, prtpsps, prtspcur, prtwf_full, prtxml, ptcharge, pvelmax, pw_unbal_thresh, qptdm, qptrlatt, random_atpos, ratsph_extra, rectesteg, rfddk, scalecart, spbroad, spnorbscl, stmbias, string_algo, symafm, td_maxene, td_mexcit, tfw_toldfe, tl_nprccg, tl_radius, tolmxde, ucrpa_window, useexexch, usepotzero, vaclst, vacnum, vacwidth, vcutgeo, vdw_tol_3bt, vel_cell, wtq, xc_denpos, xc_tb09_c, xredsph_extra, xyzfile, zeemanfield 1
• bs_eh_cutoff, cd_subset_freq, cpuh, cpum, diismemory, ga_algor, getbscoup, gethaydock, getvel, gw_nstep, gw_sctype, gw_toldfeig, irdbscoup, 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_dkdk, rfmeth, rfuser, %rprimd, 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, %xclevel, %ziontypat 0

aim

5 tests

• atom, crit, follow, 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, folstp, lapout, ngrid, phimin, rsurdir, rsurf, scal, thetamin, vpts 0