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forum:data:2021:xas_m_4_5_partial_excitations [2021/09/22 09:45] – Maurits W. Haverkortforum:data:2021:xas_m_4_5_partial_excitations [2025/11/20 03:30] (current) – external edit 127.0.0.1
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 Bodry Bodry
 +
 +A note further important information to know is that the spectrum is calculated with restrictions set in the following way
 +
 +<code>
 +
 +NConfigurations = 3
 +CalculationRestrictions = {NF, NB, {'0000000000 00000000000000 11111111111111', 14 - (NConfigurations - 1), 14}}
 +XAS_spectrum = CreateSpectra(H_f,{TXASf0z,TXASf1z,TXASf2z,T3d4fz},psiList,{{"Emin",-20},{"Emax",30},{"NE",3500},{"Gamma",0.1},{'restrictions', CalculationRestrictions}})
 +</code>
 +
 </WRAP> </WRAP>
  
 ~~DISCUSSION|Answers~~ ~~DISCUSSION|Answers~~
  

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