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dft_tools/python/vasp/examples/simple/INCAR
Oleg E. Peil 61cb087561 Added a test to '_proj_group' test suite
Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00

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ADDGRID = TRUE
ALGO = NORMAL
EDIFF = 0.00001
EDIFFG = -0.002
EMAX = 13.0
EMIN = -2.0
ENCUT = 550
ENAUG = 1100
IBRION = -1
ICHARG = 1
ISIF = 4
ISMEAR = -5
ISPIN = 1
ISYM = -1
LASPH = TRUE
LCHARG = TRUE
LDAU = False
LDAUJ = 0 1.0 0 0 0
LDAUL = -1 2 -1
LDAUTYPE = 1
LDAUU = 0 5.0 0 0 0
LDAUPRINT = 1
LMAXMIX = 6
LORBIT = 0
LREAL = False
ROPT = 1e-3 1e-3 1e-3
LWAVE = FALSE
NBANDS = 32
NEDOS = 501
NELM = 100
NELMDL = -7
NELMIN = 7
NPAR = 4
NSIM = 8
NSW = 0
POTIM = 0.4
PREC = Accurate
SIGMA = 0.1
SMASS = 0.5
SYMPREC = 1.0e-6
LOCPROJ = 1 : d : Hy