Main ABINIT code, input variables:
Complete list.
This document lists the names (keywords) of all input variables to be used in the main input file of the abinit code.
The new user is advised to read first the new user's guide, before reading the present file. It will be easier to discover the present file with the help of the tutorial.
When the user is sufficiently familiarized with ABINIT, the reading of the ~abinit/doc/users/tuning file might be useful. For response-function calculations using abinit, please read the response function help file
Copyright (C) 1998-2011 ABINIT group (DCA,XG,RC) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt . For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
Goto : ABINIT home Page | Suggested acknowledgments | List of input variables | Tutorial home page | Bibliography
Help files : New user's guide | Abinit (main) | Abinit (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic
Files which describe the input variables:
- Basic variables, VARBAS
- Developpement variables, VARDEV
- Files handling variables, VARFIL
- Geometry builder + symmetry related variables, VARGEO
- Ground-state calculation variables, VARGS
- GW variables, VARGW
- Internal variables, VARINT
- Parallelisation variables, VARPAR
- Projector-Augmented Wave variables, VARPAW
- Response Function variables, VARRF
- Structure optimization variables, VARRLX
- Wannier90 interface variables, VARW90
See also the Space group table
Alphabetical list of all input variables and some internal variables.
(Keywords with a % sign are internal variables contained in the dtset array - whose description is useful for the user, but to which no direct access is provided in the input files)
C. cd_halfway_freq cd_max_freq cd_subset_freq cd_use_tangrid charge chkexit chkprim chksymbreak cmlfile cpus, cpum, cpuh
D. delayperm densty diecut diegap dielam dielng diemac diemix diemixmag diismemory dilatmx dmatpawu dmatpuopt dmatudiag dmft_dc dmft_iter dmft_mxsf dmft_nwli dmft_nwlo dmft_rslf dmft_solv dmftbandf dmftbandi dmftcheck dosdeltae dtion dynimage
E. ecut ecuteps ecutsigx ecutsm ecutwfn effmass efield elph2_imagden enunit eshift esmear etsfgroups etsfmain exchn2n3d exchmix
F. fband fftalg fftcache fftgw fft_opt_lob fixmom freqremax freqremin freqspmax freqsusin freqsuslo friction frzfermi fxcartfactor
G. genafm getcell getddk getden getgam_eig2nkq getkss getocc getqps getscr getsuscep getvel getwfk getwfq getxcart getxred get1den get1wf gwcalctyp gwcomp gwencomp gwgamma gwmem gw_eet gw_eet_inclvkb gw_eet_nband gw_eet_scale gw_nqlwl gw_nstep gwpara gw_qlwl gwrpacorr gw_sctype gw_sigxcore gw_toldfeig
H.
I. iatcon iatfix iatfixx iatfixy iatfixz iatsph iboxcut icoulomb icutcoul idyson ieig2rf ikhxc inclvkb intexact intxc imgmov ionmov iprcch iprcel iprctfvw iprcfc iqpt irdddk irdden ird1den irdqps irdkss irdscr irdsuscep irdwfk irdwfq ird1wf iscf isecur istatr istatshft istwfk ixc ixcpositron
M. macro_uj maxnsym %mband mdftemp mditemp mdwall mffmem %mgfft %mgfftdg mixalch mkmem mkqmem mk1mem %mpw mqgrid mqgriddg
N. natcon natfix natfixx natfixy natfixz natom %natpawu natrd natsph natvshift nband nbandkss nbandsus nbdblock nbdbuf nberry nconeq nctime ndivk ndivsm ndtset ndyson %ndynimage %nelect %nfft %nfftdg nfreqim nfreqre nfreqsp nfreqsus ngfft ngfftdg ngkpt ngqpt ngroup_rf nimage nkpt nkptgw nline nloalg nnos nnsclo nobj nomegasf nomegasi nomegasrd normpawu noseinert npband npfft npimage npkpt npsp %npspalch npulayit npweps npwkss npwsigx npwwfn nqpt nqptdm nscforder nsheps nshiftk nshiftq nshsigx nshwfn nspden nspinor nsppol nstep nsym ntime ntimimage ntypalch ntypat %ntyppure nwfshist
O. objaat, objbat objaax, objbax objan, objbn objarf, objbrf objaro, objbro objatr, objbtr occ occopt omegasimax omegasrdmax optcell optdriver optforces optfreqsus optnlxccc optstress ortalg
P. papiopt paral_kgb paral_rf pawcpxocc pawecutdg pawfatbnd pawlcutd pawlmix pawmixdg pawnhatxc pawnphi pawntheta pawnzlm pawovlp pawoptmix pawprtden pawprtdos pawprtvol pawprtwf pawprt_b pawprt_k pawspnorb pawstgylm pawujat pawujrad pawujv pawusecp pawxcdev pitransform positron posnstep posocc postoldfe postoldff ppmfrq ppmodel prepanl prepgkk prepscphon prtbbb prtbltztrp prtcml prtcif prtden prtdensph prtdipole prtdos prtdosm prtefg prteig prtelf prtfc prtfsurf prtgden prtgeo prtgkk prtkden prtkpt prtlden prtnabla prtnest prtposcar prtpot prtspcur prtstm prtvha prtvhxc prtvol prtvxc prtwant prtwf prtxangst prtxcart prtxml prtxred prt1dm ptcharge %ptgroupma
R. random_atpos ratsph recefermi recgratio recnpath recnrec recptrott recrcut rectesteg rectolden restartxf rfasr rfatpol rfddk rfdir rfelfd rfmeth rfphon rfstrs rfuser rf1atpol rf1dir rf1elfd rf1phon rf2atpol rf2dir rf2elfd rf2phon rf3atpol rf3dir rf3elfd rf3phon rhoqpmix rprim %rprimd
S. scalecart sciss scphon_temp scphon_supercell shiftk shiftq signperm slabwsrad slabzbeg slabzend smdelta soenergy so_psp spbroad spgaxor spgorig spgroup spgroupma spmeth spnorbscl spinat stmbias strfact strprecon strtarget suskxcrs symafm symchi symrel symmorphi symsigma
T. td_maxene td_mexcit tfkinfunc timopt tl_nprccg tl_radius tnons toldfe toldff tolimg tolmxf tolrff tolsym tolvrs tolwfr tphysel tsmear typat
U. udtset upawu usedmatpu usedmft useexexch usekden %usepaw usepawu userec useria, userib, useric, userid, userie userra, userrb, userrc, userrd, userre usewvl usexcnhat useylm
W. wfoptalg wtatcon wtk wvl_cpmult wvl_crmult wvl_fpmult wvl_frmult wvl_hgrid wvl_nprccg w90iniprj w90prtunk
Y.
Goto : ABINIT home Page | Suggested acknowledgments | List of input variables | Tutorial home page | Bibliography
Help files : New user's guide | Abinit (main) | Abinit (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic
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