[QE-users] [projwfc.x] correspondence between state labels in the console output of projwfc.x and *.projwfc_up file

lianyl lianyl at ihep.ac.cn
Tue Sep 28 05:30:39 CEST 2021


Dear QE users,
I am parsing the output of projwfc.x and want to confirm the meaning of “wfc 2” in the “Atomic states used for projection” section of the console output of projwfc.x. There is no info for the atomic orbit name, such as 4D, 5S in this section. In contrast, the projwfc_up file produced by this program contains the atomic orbit name. (See the screenshot attached.)

My question is simply: what is the meaning of the number followed by “wfc” in the the “Atomic states used for projection” section of the console output of projwfc.x? Is there a dictionary for the wfc numbers and orbit names?

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Best regards,
Yunlong
CSNS, Guangdong China


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