lp will be appreciated.
Best
Miao Gao
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Ph.D. student of Department of Physics,
Renmin University of China.
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paradise.? ~ David Hilbert
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There is a doubly-degenerate state at 34.84024 eV
that is not present in the reference results. It might
be a consequence of the change of default starting
wavefunctions: a small randomization is added to the
superposition of atomic wavefunctions. This breaks
the symmetry and prevents iterative
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.
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, CEP 21941-909
"Together the parts makes a giant..."
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On Fri, 2013-04-12 at 10:35 +0100, Sakhrawi Taoufek wrote:
> Error in routine projwfc (1): reading projwfc namelist
you didn't read the line just before that one, did you?
*** namelist &inputpp no longer valid: please use &projwfc instead
P.
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Paolo Giannozzi, Dept. Chemistry&Phy
+39 081 676910
Skype contact: giocan74
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',
??? degauss=0.01,
??? Emin=2.0,? Emax=22.0, DeltaE=0.1, smoothing=0.3,
/
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