[Wien] Running extra cases in same directory IRELAST

[morteza jamal]

Dear Jared,You must  run "setupc" and list both old and new strains.Now, the old results will then be taken automatically into account without recalculation  unless you specify inside SYM.job.
 With best,Morteza
  #yiv6214691456 P {margin-top:0;margin-bottom:0;}Disregard my  email. Yes I needed to specify all the strains since the program automatically does not recalculate unless I specify inside SYM.job.
Thanks,Jared
From: Pohlmann, Jared <Jared_Pohlmann1 at baylor.edu>
Sent: Monday, March 3, 2025 8:18 PM
To: morteza jamal <m_jamal57 at yahoo.com>
Subject: Re: Running extra cases in same directory IRELAST <!--#yiv6214691456 p {margin-top:0;margin-bottom:0;}-->So I first used the default strains. I then ran “setupc”. Here I then specified 4 new strains. So the program ran only the 4 new strains, and thus the “ana_elastc_lapw” program did not include the old data points as well as the new points. So I am not understanding how I specify the old data points so the program will calculate the new and then use both new and old to calculate the elastic constants. Was I supposed to run "setupc" and list both old and new strains? 
Jared PohlmannFrom: morteza jamal <m_jamal57 at yahoo.com>
Sent: Sunday, March 2, 2025 11:55:10 AM
To: Pohlmann, Jared <Jared_Pohlmann1 at baylor.edu>
Subject: Re: Running extra cases in same directory IRELAST 

Hello Jared
Specify also your  "old data points( old strains-old previous data points) (i mean old strains with new ones) " when you call for example "setupc" or "set_elast_lspw" program.The old results will then be taken automatically into account without recalculation.
With bestMorteza
Hello Sir,

I had a question about doing further calculations in a directory. I was reading your documentation on Page 10 for running with more data points. How do I specify my old data points? I did the steps and it ran well, but now when I do anaIR_elast_lapw, it is not taking into account all my previous data points as well as the new ones. How do I fix this issue?
Thanks,Jared
  
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