Tags: DFT

Questions & Answers (1-2 of 2)

  1. Permission denied message when running single oxygen atom

    Closed | Responses: 0

    I'm attempting to run the single oxygen atom from HW 1.3 in the Atoms to Materials course.  There appears to be a file permission problem when copying a file.   

    I...

    https://nanohub.org/answers/question/1405

  2. What is the suitable tool for calculating the HOMO/LUMO of specific molecular?

    Closed | Responses: 0

    https://nanohub.org/answers/question/1753