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SJ_97269231-Visitor
1-Visitor
November 24, 2020
Question

First timer with difficulties in following basic instructions

  • November 24, 2020
  • 2 replies
  • 1982 views

Hello and thank you to whomever reads and responds to this request. I am currently trying to recreate this  procedure https://faculty.csbsju.edu/frioux/scf/HESCF.pdf with never have using Mathcad. I have entered all the equations and attempted to set up a solve block but to be honest I am completely lost. I have attached my file here, if anyone could respond and show me what this in the end looks like I would greatly appreciate it.

2 replies

W
Werner_E25-Diamond I
25-Diamond I
November 24, 2020

You missed the global assignment of the variables C.j1 and C.j2 which the author had used. Thats the reason for the error when you try to define H.11.

Werner_E_0-1606229353561.png

 

    S
    SJ_97269231-VisitorAuthor
    1-Visitor
    November 26, 2020

    Okay I added that, now what?

    W
    Werner_E25-Diamond I
    25-Diamond I
    November 26, 2020
    @SJ_9726923 wrote:

    Okay I added that,

    No, you didn't! I was talking about the global assignment I see in the printout of the Mathcad sheet.

    Werner_E_0-1606355314124.png

     

    Werner_E_0-1606355219928.png

     

    W
    Werner_E25-Diamond I
    25-Diamond I
    December 1, 2020

    You mixed up Cj1 with Cj1  (the same with i and 2, too) quite some times! In the pdf the j (and also the i) never is in the subscript as far as I see.

    Furthermore function epsilon must be defined outside of the solve block, otherwise its only known within the block.

    In the definition for E.atom you had a typo (index 2 instead of 1)

    See attached sheet.

     

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