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PAO question
Date: 2018/11/07 18:19
Name: Weiqi Li   <tccliweiqi@hit.edu.cn>

For a band calculation, the error is "SetPara_DFT> PAOs of species S were normally found.
Not enough data for PAO (/public/software/openmx3.8/DFT_DATA13/PAO/Te9.0.pao)
Not enough data for PAO (/public/software/openmx3.8/DFT_DATA13/PAO/Te9.0.pao)
Not enough data for PAO (/public/software/openmx3.8/DFT_DATA13/PAO/Te9.0.pao)
Not enough data for PAO (/public/software/openmx3.8/DFT_DATA13/PAO/Te9.0.pao)"

My input file is

DATA.PATH /public/software/openmx3.8/DFT_DATA13 # default=../DFT_DATA13

Species.Number 3
<Definition.of.Atomic.Species
S S8.0 S_PBE13
Te Te9.0 Te_PBE13
Mo Mo9.0 Mo_PBE13
Definition.of.Atomic.Species>

Please give me some suggestion.

Thank you
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Re: PAO question ( No.1 )
Date: 2018/11/07 18:22
Name: Weiqi Li  <tccliweiqi@hit.edu.cn>

Thank everyone. This question have been solved.
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