[QE-users] How does one read a wfck2r.x Post-processed file?

By_Doma 1007054726 at qq.com
Thu May 15 23:23:53 CEST 2025


Dear all qe users, New qe users here, I've found a link about wfck2r.xhttps://www.mail-archive.com/users@lists.quantum-espresso.org/msg34168.htmland I successfully get hBN.wfc_r1 file. but somehow I just can't open it with matlab as that link said and I don't know how to read this file. Could you please tell me what should I do?
Here are my two input files#######################scf input file#######################&control      calculation='scf',     prefix='hBN',     outdir="./out"     restart_mode='from_scratch'     pseudo_dir = './Pseudos'     wf_collect=.true.     nstep = 200      verbosity = 'high'  / &system     ibrav = 4,     celldm(1) = 4.716     celldm(3) = 2.582     nat= 4,     ntyp= 2,     force_symmorphic=.true.     ecutwfc = 40, / &electrons  electron_maxstep = 100  conv_thr =  1.0e-8 / ATOMIC_SPECIES  B 10 B.pz-vbc.UPF  N 14 N.pz-vbc.UPF  ATOMIC_POSITIONS {crystal} B  0.6666667  0.3333333  0.0000000   N -0.6666667 -0.3333333  0.0000000  B -0.6666667 -0.3333333  0.5000000  N  0.6666667  0.3333333  0.5000000   K_POINTS {automatic} 6 6 2 1 1 1  #######################scf input file#######################

#######################wfck2r.x input file#######################&inputpp    prefix='hBN',    outdir='./out',  first_k=1  last_k=2  first_band=1  last_band=1 /#######################wfck2r.x input file#######################
DomaPhd student
School of Physics and Astronomy
Beijing Normal University
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