diff --git a/src/dft/initBoundaryConditions.cc b/src/dft/initBoundaryConditions.cc index aa9003b9a..f9e5825ce 100644 --- a/src/dft/initBoundaryConditions.cc +++ b/src/dft/initBoundaryConditions.cc @@ -406,7 +406,8 @@ namespace dftfe std::min(d_dftParamsPtr->chebyWfcBlockSize, d_numEigenValues); d_basisOperationsPtrDevice->createScratchMultiVectors(1, 3); - d_basisOperationsPtrDevice->createScratchMultiVectors(BVec, 2); + d_basisOperationsPtrDevice->createScratchMultiVectors( + BVec, d_dftParamsPtr->overlapComputeCommunCheby ? 4 : 2); } #endif