sh-H110M-DS2 Documentsnew simulationsnbnb_ nbnb Progran PHSCF v62 svn rev 14038 starts on 7Aug This program is part of the open-sour for quantum sinulation of materials please cite ce Quantum ESPRES P Gannozzt et al J Phys Condens Matter 21 3 P Giannozzi et al J Phys Condens Matter 29 4 URL httpwwwquantum-espressoorg in publications or presentations arising from this work httpwwwquantum-espressoorgquote Parallel version MPI running on 2 processors MPI processes distributed on 1 nodes R & G space division procnbgrpnpoolninage Waiting for input Reading input from standard input 2 Current dimensions of program PWSCF are Max number of different atonic species ntypx10 Max number of k-points npk = 40000 Max angular monentun in pseudopotentials lmaxx file Nbpbe-spn-kjpaw psl100UPF wavefunctions 49 Subspace diagonalization in iterative solution of the eigenvalue pr a serial algorithn will be used Parallelization info sticks dense smooth densesmooth PW 7180 1852 71811853 14361 14361 37θ5 G-vecS Max sum 7180 7181 647115647115 84548 647116 647116 84553 1294231 1294231 169101 bravais lattice index lettice parameter alat = 462722229 aun3 sit-cell volume number of atomscell number of atomic types number of electrons number of Kohn-Sham states= kinetic-energy cutoff charge density cutoff convergence threshold mixing beta 28 364 θθ 218 350000 Ry 08000 numbe「of iterations used = 8 TF mixing Exchange-correlation =SLA PW PBX PBC 1 4 3 4θθ ceudn4 0000000 celldn 5 0000088 celldn6 crystal axes cart coord in untts of alat Ο000000 rectprocal axes cart coord in units 2 pialat Rainbow Terminal Meme

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