# 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) 1998-2006 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 .

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
- Wannier fonctions variables, VARWAN

### 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 alpha amu angdeg

B. bdberry bdgw berryopt boxcenter boxcutmin brvltt bxctmindg

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

D. dedlnn delayperm densty diecut diegap dielam dielng diemac diemix dilatmx dosdeltae dsifkpt dtion

E. ecut ecuteps ecutsigx ecutsm ecutwfn effmass efield enunit eshift exchn2n3

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

G. genafm getacfd getcell getddk getden getkss getocc getscr getvel getwfk getwfq getxcart getxred get1den get1wf get1wfden gwcalctyp

H.

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

J. jdtset

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

L. ldgapp localrdwf lofwrite ltypeorb

M. %mband mdftemp mditemp mdwall mffmem %mgfft %mgfftdg mgriddg mixalch mkmem mkqmem mk1mem %mpw mqgrid

N. natcon natfix natfixx natfixy natfixz natom natrd natsph nband nbandkss nbandsus nbdblock nbdbuf nberry ncenter nctime nconeq ndivk ndtset ndyson %nelect %nfft %nfftdg nfreqim nfreqsp nfreqre nfreqsus ngfft ngfftdg ngkpt ngroup_rf nkpt nkptgw nline nloalg nnsclo nomegasrd norb npack npara npsp %npspalch npulayit npweps npwkss npwsigx npwwfn nobj nomegasrd noseinert nqpt nqptdm nscforder nsheps nshiftk nshsigx nshwfn nspden nspinor nsppol nstep nsym ntime ntypalch ntypat %ntyppure numorb

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_rf parareel pawecutdg pawlcutd pawlmix pawnphi pawovlp pawprtvol pawntheta pawnzlm pawsphmix pawxcdev positron ppmfrq ppmodel prepanl prtacfd prtbbb prtcml prtden prtdos prteig prtfsurf prtgeo prtkpt prtpot prtstm prtvha prtvhxc prtvol prtvxc prtwant prtwf prt1dm pspso %ptgroupma

Q. qprtrb qpt qptdm %qptn qptnrm

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

S. sciss shiftk signperm soenergy so_typat spgaxor spgorig spgroup spgroupma spinat splitsigc stmbias strfact strprecon strtarget supercell suskxcrs symafm symrel symmorphi

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

U. udtset %usepaw useylm useria, userib, useric, userid, userie userra, userrb, userrc, userrd, userre

V. vaclst vacnum vacuum vacwidth vel vis vprtrb

W. wfoptalg wtatcon wtk

X. xangst xcart 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