Tags: tool:nmst_dft

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  1. Can SeqQuest perform phonon calculations?

    Closed | Responses: 1

    I was wondering if SeqQuest can do phonon calculations? If not, then is it being planned?





  2. Geometery Relaxation in SeqQuest

    Closed | Responses: 1


    When we run geometry relaxation, does simulator relax lattice constants a (and c) beside atoms positions in unit cell. I couldn’t find any output for relaxed lattice...


  3. 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.   



  4. Problem running SeqQuest with uploaded input deck

    Closed | Responses: 1

    I have a SeqQuest input deck file that I uploaded using the ‘upload’ option on the first tab of...


  5. seqquest problem with building input……….

    Closed | Responses: 2

    Dear All, while running a seqquest calculation, I am having error message at creating input deck…….. syntax error in expression “ * 1.889725989 : unexpected...


  6. Benjamin P Haley

    Ben received his B.S. in Physics from Purdue in 1998. He worked for Cummins Engine Co and Intel before attending graduate school at UC Davis. He received a Masters in Engineering Applied Science...