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forum:data:2024:an_erorr_for_2p3d-rixs_calculations_of_a_3d0_system [2024/06/02 05:07] – Created from the form at forum:start Saki IMADAforum:data:2024:an_erorr_for_2p3d-rixs_calculations_of_a_3d0_system [2024/06/02 20:50] (current) – Maurits W. Haverkort
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 But I got the following error message once I included the operators with z for 2p3d-RIXS for 3d0 system.  But I got the following error message once I included the operators with z for 2p3d-RIXS for 3d0 system. 
  
- ** On entry to DSYEV Safe minimumPrecisionM parameter number  5 had an illegal value+<code> 
 +On entry to DSYEV Safe minimumPrecisionM parameter number  5 had an illegal value
 dsyv failed in CompactMatrixEigensystem with info value -5 dsyv failed in CompactMatrixEigensystem with info value -5
 While working on matrix Coulomb Operator While working on matrix Coulomb Operator
 continue diagonalization with dsyvd continue diagonalization with dsyvd
- ** On entry to DSYEVDSafe minimumPrecisionMIA parameter number  5 had an illegal value+On entry to DSYEVDSafe minimumPrecisionMIA parameter number  5 had an illegal value
 also dsyvd failed in CompactMatrixEigensystem with info value -5 also dsyvd failed in CompactMatrixEigensystem with info value -5
 ERORR!!!!!!!!!! ERORR!!!!!!!!!!
 +</code>
  
 The lines are; The lines are;
 No problem for No problem for
 +<code>
 RIXSSpectraxy =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASx, TXASydag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}}) RIXSSpectraxy =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASx, TXASydag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}})
 +</code>
 Error for Error for
 +<code>
 RIXSSpectraxz =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASx, TXASzdag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}}) RIXSSpectraxz =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASx, TXASzdag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}})
 RIXSSpectrazx =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASz, TXASxdag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}}) RIXSSpectrazx =  CreateResonantSpectra(XASHamiltonian, Hamiltonian, TXASz, TXASxdag, psiList, {{"Emin1",-12}, {"Emax1",18}, {"NE1",300}, {"Gamma1",0.22}, {"Emin2",-2.0}, {"Emax2",10.0}, {"NE2",1200}, {"Gamma2",0.05}})
 +</code>
  
 If needed, I'll send you my full input file via email. If needed, I'll send you my full input file via email.

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