Read Checkpoint File Gaussian

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B5dynSHp3RQ/0.jpg' alt='Read Checkpoint File Gaussian 09' title='Read Checkpoint File Gaussian 09' />Read Checkpoint File Gaussian DistributionThe initial coin offering party is over in China. A committee led by the Peoples Bank of China, the nations central bank, has imposed an immediate ban on new. How can I restart a job that was interrupted Many Gaussian jobs that are stopped prematurely e. Density Gaussian. Options. Current. Use the density matrix for the current method. This is the default when no option is given to Density. All. Use all available densities. This is allowed for population analysis but not for electrostatics or density evaluation. Note that this option does not produce densities for all of the excited states in a CI Singles calculation, only the density for the state of interest see the examples below for a method of doing the former. Sonic Riders Pc Full Zip. SCFUse the SCF density. HF is a synonym for SCF. MP2. Use the generalized density corresponding to the second order energy. TransitionN or N,MUse the CIS transition density between state M and state N. M defaults to 0, which corresponds to the ground state. All. Transition. Use all available CIS transition densities. External Hdd Drivers Toshiba. CIUse the generalized density corresponding to the CI energy. CCUse the generalized density corresponding to the QCI or coupled cluster energy. QCI is a synonym for CC. Rho. CIUse the one particle density computed using the CI wavefunction for state N. This is not the same as the CI density Wiberg. Chapter 9 of Exploring Chemistry with Electronic Structure Methods discusses this issue Foresman. Rho. 2Use the density correct to second order in Mller Plesset theory. This is not the same as the MP2 density, and its use is discouraged Wiberg. CISNUse the total unrelaxed CIS density for state N. Note that this is not the same as the density resulting from CISRootN, DensityCurrent, which is to be preferred Wiberg. Checkpoint. Recover the density from the checkpoint file for analysis. Implies GuessOnly. Chk. Basis the calculation does not recompute new integrals, SCF, and so on, and retrieves the basis set from the checkpoint file.