quantum-espresso/atomic_doc/all-electron/cu.in

13 lines
198 B
Plaintext

&input
title='Cu +',
zed=29.,
xmin=-6,
rel=0,
lsd=0,
isic=1,
latt=0,
iswitch=1,
config='[Ar] 3d10'
dft='NOX-NOC',
/