Hello all,
After a spin-polarized scf calculation, I have several files such as
wfcup#.hdf5, wfcdw#hdf5 etc in in outdir/prefix.save. The number of the
files are equal to the 2*number of k points. However, after nscf
calculation, I am getting more data files in the outdir (not in
outdir/prefix.save). I have N number of prefix.wfc* files where N is the
number of processor I used. What is the difference between these two
type of files? Are they both wavefunction? If I delete them, will there
be any problem?
Sincerely,
Abdul Muhaymin,
Graduate student,
Bilkent University, Ankara.
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