Spinors + Scalapack SubspaceDiagonalization on CPU
Here’s the results of running the latest commit of the develop branch (a23b3735) with a simple input file (inp) [based on the testsuite/finite_systems_3d/09-spinors.01-ground_state.inp test file] in serial on CPU:
- Spinors + Standard Subspace Diagonalization: etot = -1.76672139E-01 Eigenvalue = -0.085527 (output)
- Spinors + Scalapack Subspace Diagonalization: etot = -2.80158038E-01 Eigenvalue = 0.121499 (output)
- Spin-polarized + Standard Subspace Diagonalization: etot = -1.76672139E-01 Eigenvalue = -0.085527 (output)
- Spin-polarized + Scalapack Subspace Diagonalization: etot = -1.76672139E-01 Eigenvalue = -0.085527 (output)