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Questions related from Sasthi Mandal
Hi there, I am running a job of ZnO with some ligands in gaussian 16. After running for 5 minutes the error comes that is SCF has not converged. scf error. If anyone help me out of the problem...
01 January 1970 4,177 6 View
Hi everyone, I have a frequency log file from gaussian. I see the frequency inside the file. Is it possible to determine the involving atoms which causes the vibration of that particular...
01 January 1970 4,569 2 View
I have seen many literature on MD simulation of ZnO that they have used only lennard-jones or Buckingham potential but not taken any bonded interaction. Could you please explain how the bonded...
01 January 1970 717 2 View