[Wien] CORE electrons leaking out in file.outputst

[翠玉 耿]

Dear Kevin:

         you are right. When I set a core separation energy of -8.5 Ry for lstart, there is not  leakage any more. Thanks for your help. but I have no experience dealing with calculation with this core separation energy, can you give me any advice? I mean, if i select this energy, should I make any change for some parameters in input files(such as file.in1, file.in2). Thanks again.

best regards


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