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Rainbow Terminal: sh-H110M-DS2: /Documents/new simulations/nbnb_ nbnb Progran PHSCF v.6.2 (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 http://www.quantum-espresso.org", in publications or presentations arising from this work. http://www.quantum-espresso.org/quote Parallel version (MPI), running on 2 processors MPI processes distributed on 1 nodes R & G space division: proc/nbgrp/npool/ninage Waiting for input... Reading input from standard input 2 Current dimensions of program PWSCF are: Max number of different atonic species (ntypx)10 Max number of k-points (npk) = 40000 Max angular monentun in pseudopotentials (lmaxx) file Nb.pbe-spn-kjpaw psl.1.0.0.UPF: wavefunction(s) 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 37ΞΈ5 G-vecS Max sum 7180 7181 647115647115 84548 647116 647116 84553 1294231 1294231 169101 bravais lattice index lettice parameter (alat) = 46272.2229 (a.u.n3 sit-cell volume number of atoms/cell number of atomic types number of electrons number of Kohn-Sham states= kinetic-energy cutoff charge density cutoff convergence threshold mixing beta 28 364 . ΞΈΞΈ 218 35.0000 Ry 0.8000 numbeγ€Œof iterations used = 8 TF mixing Exchange-correlation =SLA PW PBX PBC ( 1 4 3 4ΞΈΞΈ) ceudn(4) 0.000000 celldn( 5) 0.000088 celldn(6) crystal axes: (cart. coord. in untts of alat) Ο.000000 rectprocal axes: (cart. coord. in units 2 pi/alat) Rainbow Terminal

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