# 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 abinis 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 abinis, please read the response function help file

##### Copyright (C) 1998-2009 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 | Abinis (main) | Abinis (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic | Mrgscr

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

### 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)

A. accesswff acell algalch amu angdeg atvshift awtr

B. bdberry bdgw berryopt bmass boxcenter boxcutmin brvltt bxctmindg

C. ceksph charge chkexit chkprim cmlfile cpus, cpum, cpuh

D. dedlnn delayperm densty diecut diegap dielam dielng diemac diemix diemixmag dilatmx dmatpawu dmatpuopt dmatudiag dosdeltae dsifkpt dtion

E. ecut ecuteps ecutsigx ecutsm ecutwfn effmass efield enunit eshift etsfgroups etsfmain exchn2n3d

F. fband fftalg fftcache fftgw fft_opt_lob fixmom freqremax freqspmax freqsusin freqsuslo friction frzfermi

G. genafm getacfd getcell getddk getden getkss getocc getqps getscr getvel getwfk getwfq getxcart getxred get1den get1wf gwcalctyp gwcomp gwencomp gwgamma gwmem gwpara

H.

I. iatcon iatfix iatfixx iatfixy iatfixz iatsph iboxcut icoulomb idyson ieig2rf ikhxc intexact intexact intxc ionmov iprcch iprcel iprctfvw iprcfc irdddk irdden irdqps irdkss irdscr irdwfk irdwfq ird1wf iscf isecur istatr istatshft istwfk ixc ixcpositron

J. jdtset jellslab jpawu

K. kberry kpara kpt kptbounds kptgw kptnrm %kptns kptopt kptrlatt kptrlen kssform

L. ldgapp lexexch localrdwf lpawu

M. %mband mdftemp mditemp mdwall mffmem %mgfft %mgfftdg mgriddg 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 %nelect %nfft %nfftdg nfreqim nfreqre nfreqsp nfreqsus ngfft ngfftdg ngkpt ngroup_rf nkpt nkptgw nline nloalg nnos nnsclo nobj nomegasf nomegasrd noseinert npack npara npband npfft npkpt npsp %npspalch npulayit npweps npwkss npwsigx npwwfn nqpt nqptdm nscforder nsheps nshiftk nshsigx nshwfn nspden nspinor nsppol nstep nsym ntime ntypalch ntypat %ntyppure nwfshist

O. objaat, objbat objaax, objbax objan, objbn objarf, objbrf objaro, objbro objatr, objbtr occ occopt omegasrdmax optcell optdriver optforces optfreqsus optnlxccc optstress ortalg outputxml

P. paral_kgb paral_rf parareel pawcpxocc pawecutdg pawlcutd pawlmix pawmixdg pawnhatxc pawnphi pawntheta pawnzlm pawovlp pawoptmix pawprtden pawprtdos pawprtvol pawspnorb pawstgylm pawusecp pawxcdev positron ppmfrq ppmodel prepanl prtacfd prtbbb prtcml prtden prtdensph prtdos prtdosm prtefg prteig prtfc prtfsurf prtgeo prtgkk prtkpt prtnabla prtpot prtstm prtvha prtvhxc prtvol prtvxc prtwant prtwf prt1dm %ptgroupma

Q. qmass qprtrb qpt qptdm %qptn qptnrm quadmom

R. ratsph restartxf rfasr rfatpol rfdir rfelfd rfmeth rfphon rfstrs rfthrd rfuser rf1atpol rf1dir rf1elfd rf1phon rf2atpol rf2dir rf2elfd rf2phon rf3atpol rf3dir rf3elfd rf3phon rhoqpmix rprim %rprimd

S. sciss shiftk signperm slabwsrad slabzbeg slabzend soenergy so_psp spgaxor spgorig spgroup spgroupma spnorbscl spinat splitsigc stmbias strfact strprecon strtarget suskxcrs symafm symchi symrel symmorphi symsigma

T. td_maxene td_mexcit tfkinfunc tfnewton timopt tl_nprccg tl_radius tnons toldfe toldff tolmxf tolrff tolvrs tolwfr tphysel tsmear typat

U. udtset upawu usedmatpu useexexch %usepaw usepawu useria, userib, useric, userid, userie userra, userrb, userrc, userrd, userre usewvl useylm

V. vaclst vacnum vacuum vacwidth vel vis vmass vprtrb

W. wfoptalg wtatcon wtk wvl_cpmult wvl_crmult wvl_fpmult wvl_frmult wvl_hgrid wvl_nprccg w90iniprj w90lplot w90nplot w90prtunk

X. xangst xcart %xclevel xred

Y.

Z. zcut %ziontypat znucl

Goto : ABINIT home Page | Suggested acknowledgments | List of input variables | Tutorial home page | Bibliography

Help files : New user's guide | Abinis (main) | Abinis (respfn) | Mrgddb | Anaddb | AIM (Bader) | Cut3D | Optic | Mrgscr