[Pw_forum] CP scf and PW scf

[xiaochuan Ge]

Dear all,

Any one could please shortly summarize the difference between the scf
calculation in CP.x and in PW.x? It occurs to me that the total energy and
the absolute value of KS energy are different between them, and the energy
difference between KS orbitals are similar but still shows some deviation(
I have used the same etot_conv_thr for both calculation). If you could also
suggest me any link or documentation where this issue is addressed, it
would be great! Thank you very much in advance.

===================
Dr. Xiaochuan Ge (Giovanni)
Center for Functional Nanomaterials
Brookhaven national laboratory
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