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Input variables

multibinit variables

optic variables

atdep variables

anaddb variables

abinit variables

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

aim variables

All variables

See aim, anaddb or optic for the subset of input variables for the executables AIM(Bader), ANADDB and OPTIC. Such input variables are specifically labelled @aim, @anaddb, or @optic in the input variable database. Enter any string to search in the database. Clicking without any request will give all variables.

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