Allow faster wavefunction initialization with parallel random numbers (RANDOM_GENERATOR = PCG_32).Created new command line argument “–dry-run” to check the setup.Added option to set Fermi energy in the middle of the band gap (EFERMI = MIDGAP).Additional ML tags presented in ML_LOGFILE.Regularized SVD for refitting with optimized default parameters (ML_IALGO_LINREG = 4).New human-readable header for ML_FF file containing most important parameters, corresponding time stamp in ML_LOGFILE.New “super”-tag ML_MODE for easy training and application of ML force fields.Improved neighbor list algorithm (cell lists + Verlet lists, supports fast-prediction mode).New fast-prediction mode (typically 20-100 times faster MD trajectories are possible).all-in-one GW mode improved (LALL_IN_ONE).Hybrid functionals that combine MGGA and Hartree-Fock.Spin-polarized formulation for nonlocal vdW functionals.IVDW_NL: A new tag to choose the version of the nonlocal vdW-DF functional.This release differs from VASP.6.3.2 by the following changes/additions (amongst others): ![]() ![]() ![]() A new release of VASP is available for download now!
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