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dft_inputs [2016/12/08 09:23] krejcio |
dft_inputs [2016/12/08 09:23] krejcio |
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kptpreference = 'samplek.kpts' | kptpreference = 'samplek.kpts' | ||
nstepf = 1 | nstepf = 1 | ||
- | icluster = 0 ! 0 for PBC / 1 for cluster calculation | + | icluster = 0 |
itdse = 0 | itdse = 0 | ||
iqout = 1 | iqout = 1 |