[Pw_forum] little suggestion

Xunlei Ding ding at sissa.it
Thu May 4 15:47:36 CEST 2006


Dear developer,

In the output file of pwscf of a scf calculation, only the last "total 
energy" has a '!' before it, as
"!    total energy", so we can use grep "!    total energy" to fine it 
easily.
I think it is also convenient to add a "!" also before the last "total 
magnetization" of a scf calculation, isn't it?

Yours,
Ding



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