Searched refs:basis_add_energy (Results 1 – 2 of 2) sorted by relevance
74 … REAL(8),ALLOCATABLE :: basis_add_energy(:) ! PAW basis: ref. energy for the additional basis func. component238 REAL(8) :: basis_add_energy(nbasis_add_max) local742 READ(inputline,*) basis_add_energy(dataset%nbasis_add-nadd+1:dataset%nbasis_add)748 IF (ALLOCATED(dataset%basis_add_energy)) DEALLOCATE(dataset%basis_add_energy)751 ALLOCATE(dataset%basis_add_energy(dataset%nbasis_add))755 dataset%basis_add_energy(1:dataset%nbasis_add)=basis_add_energy(1:dataset%nbasis_add)1264 IF (ALLOCATED(dataset%basis_add_energy)) DEALLOCATE(dataset%basis_add_energy)1407 IF (ALLOCATED(output_dt%basis_add_energy)) DEALLOCATE(output_dt%basis_add_energy)1410 ALLOCATE(output_dt%basis_add_energy(input_dt%nbasis_add))1413 output_dt%basis_add_energy(1:input_dt%nbasis_add)=input_dt%basis_add_energy(1:input_dt%nbasis_add)[all …]
1196 energy=input_dataset%basis_add_energy(ibasis_add)