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1 parent 1ab2724 commit 9e43accCopy full SHA for 9e43acc
source/module_hamilt_lcao/module_deepks/LCAO_deepks.h
@@ -55,7 +55,8 @@ class LCAO_Deepks
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ModuleBase::matrix o_delta;
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/// Correction term to the Hamiltonian matrix: \f$\langle\psi|V_\delta|\psi\rangle\f$ (for gamma only)
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- std::vector<std::vector<double>> H_V_delta;
+ /// The size of first dimension is 1, which is used for the consitence with H_V_delta_k
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+ std::vector<std::vector<double>> H_V_delta;
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/// Correction term to Hamiltonian, for multi-k
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std::vector<std::vector<std::complex<double>>> H_V_delta_k;
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