Tags: tool:nmst_dft

All Categories (1-6 of 6)

  1. Geometery Relaxation in SeqQuest

    Closed | Responses: 0

    Hi,

    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...

    http://nanohub.org/answers/question/1079

  2. 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...

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

  3. 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...

    http://nanohub.org/answers/question/679

  4. 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...

    http://nanohub.org/answers/question/573

  5. 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...

    http://nanohub.org/members/17286

  6. Can SeqQuest perform phonon calculations?

    Closed | Responses: 0

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

    Thanks

    amit

     

    http://nanohub.org/answers/question/1711