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1 parent 803408d commit 2e9417fCopy full SHA for 2e9417f
source/module_hamilt_general/module_surchem/cal_vcav.cpp
@@ -26,8 +26,9 @@ void lapl_rho(const double& tpiba2,
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// bring the gdr from G --> R
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rho_basis->recip2real(aux, aux);
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// remember to multily 2pi/a0, which belongs to G vectors.
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- for (int ir = 0; ir < rho_basis->nrxx; ir++)
+ for (int ir = 0; ir < rho_basis->nrxx; ir++) {
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lapn[ir] -= aux[ir].real() * tpiba2;
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+}
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}
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