[QE-users] Regarding Stucking of job while doing projwfc.x

Ankush Bharti ankush_bharti at ymail.com
Sun Jul 26 09:02:29 CEST 2026


Dear all,
while running projwfc.x with the input file as&PROJWFC
    prefix = 'AA',
    outdir = './',
    emin = -3,
    emax = 3,
    DeltaE = 0.1,
    lsym = .false.
    kresolveddos = .true.,
    filpdos = 'kpdos'
/

, the job is stuck at the following
     Atom #   5: total charge =   5.0559, p =  3.9063, pz=  1.3154, px=  1.2954, py=  1.2954,
     Atom #   5: total charge =   5.0559, d =  0.0000, dz2=  0.0000, dxz=  0.0000, dyz=  0.0000, dx2-y2=  0.0000, dxy=  0.0000,
     Spilling Parameter:   0.0063
"projwfc.out" 254122L, 10519332C    

its not completing

Ankush BhartiTheoretical and ComputationalCondensed Matter PhysicsDepartment of PhysicsHimachal Pradesh UniversityShimla-171005Contact: +91-8219205568


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