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
A. accesswff acell algalch alpha amu angdeg 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 dilatmx dmatpawu dosdeltae dsifkpt dtion
E. ecut ecuteps ecutsigx ecutsm ecutwfn effmass efield enunit eshift etsfgroups etsfmain exchn2n3
F. fband fftalg fftcache 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 gpara gwpara gwcalctyp
H.
I. iatcon iatfix iatfixx iatfixy iatfixz iatsph iboxcut icoultrtmt idyson ieig2rf ikhxc intexact intexact intxc ionmov iprcch iprcel iprctfvw iprcfc irdddk irdqps irdkss irdscr irdwfk irdwfq ird1wf iscf isecur istatr istatshft istwfk ixc ixcpositron
K. kberry kpara kpt kptbounds kptgw kptnrm %kptns kptopt kptrlatt kptrlen kssform
L. ldgapp localrdwf lofwrite lpawu ltypeorb
M. %mband mdftemp mditemp mdwall mffmem %mgfft %mgfftdg mgriddg mixalch mkmem mkqmem mk1mem %mpw mqgrid mqgriddg
N. natcon natfix natfixx natfixy natfixz natom natrd natsph %natpawu nband nbandkss nbandsus nbdblock nbdbuf nberry ncenter nconeq nctime ndivk ndtset ndyson %nelect %nfft %nfftdg nfreqim nfreqre nfreqsp nfreqsus ngfft ngfftdg ngkpt ngroup_rf nkpt nkptgw nline nloalg nnos nnsclo nobj nomegasrd norb noseinert npack npara npband npfft npsp %npspalch npulayit npweps npwkss npwsigx npwwfn 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 pawmixdg pawnphi pawntheta pawnzlm pawovlp pawoptmix pawprtdos pawprtvol pawsphmix pawstgylm pawxcdev positron ppmfrq ppmodel prepanl prtacfd prtbbb prtcml prtden prtdensph prtdos prtefg prteig 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 rcoord 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 rtheta
S. sciss shiftk signperm slabwsrad slabzbeg slabzend soenergy so_psp spgaxor spgorig spgroup spgroupma spinat splitsigc stmbias strfact strprecon strtarget supercell suskxcrs symafm symrel symmorphi
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 %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_crmult wvl_cpmult wvl_frmult wvl_fpmult wvl_hgrid wvl_nprccg
Y.