[Pw_forum] LDA+U calculations

[Gianluca Giovannetti]

Dear All,

i`m performing LDA+U calculations on a non magnetic state (NM).
This is my input file:

FeSe
 &control
    calculation     =  'scf'
    restart_mode    =  'from_scratch'
    prefix          =  'fese'
    tprnfor         =  .true.
    pseudo_dir      =  './'
    outdir          =  './'
    iprint          =   2
/
 &system
    ibrav           =  0
    celldm(1)       =  7.12294416914163
    nat             =  4
    ntyp            =  2
    ecutwfc         =  25.0
    ecutrho         =  300.0
    nbnd            =  50
    occupations     =  'smearing'
    smearing        =  'methfessel-paxton'
    degauss         =  0.01
    lda_plus_u      =.true.
    Hubbard_U(1)    =  7.2
    Hubbard_alpha(1) = 1.d-8
/
 &electrons
    conv_thr        =   1.0d-8
    diagonalization =  'cg'
/
ATOMIC_SPECIES
[.....]
ATOMIC_POSITIONS { angstrom }
[....]
CELL_PARAMETERS
[....]
K_POINTS {automatic}
14 14 8 0 0 0


i`m wondering how in PW the MF approximation is enforced in NM case.
Can you give me some details?

thank you.

Gianluca
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