[Pw_forum] some questions on orthogonalized atomic wavefunctions

[庞瑞(PANG Rui)]

Dear all
In the description of projwfc.x, it is announced that orthogonalized atomic wavefunctions were used in the PDOS calculation, and each orbit is labeled with an angular number. Does this mean these wavefunctions  still have definite angular numbers once they are linear combined from the atomic orbits which are already eignvalues of angular operator? It seems impossible if they are defined as (3.200) in the book of "Modern quantum chemistry".Is there any misunderstanding of me?
 

 




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庞瑞(PANG Rui)



South University of Science and Technology of China/Department of Physics

No.1088,Xueyuan Road, Shenzhen,Guangdong
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