[Wien] How to fit birch Murnaghan EOS for the orthorhombic case

[BUSHRA SABIR]

Dear Wien2k users,
For an orthorhombic optimization case I have two queries:
I found two processes to optimize the orthorhombic structure 1. By Prof. Marks  2. By Dr. Delamora
To optimize the structure file according to the method suggested by Prof. Marks, I followed the below steps:
1. Vol optimization with option 1 in "x optimize" script. It will give optimized volume.2. Using previously optimized structure, I will do here c/a optimization with option 3 from "x optimize". It will give us scaling for c/a. Updated c/a in the structure file obtained from this step and3.  Using previously optimized structure, I will do here b/a A  optimization with option 4 from "x optimize". It will give us scaling for b/a. Used optimized b/a from here in the structure file obtained from this step after a fit.
Now my first Query is: 
A. Is the final structure file (from step 3) is the well optimised for orthorhombic case?B. Is this correct that the last step will give me a  fitted birch Murnaghan EOS? 

For the process mentioned in "x optimize" with option 6 bu Delamora:
In the option 6 you can put one of the mentioned numbers
10, 27, 64,125 in which the parameters are varied by 3x3x3 (=27 different cases)  'a' is varied by -3 0 3, the same for 'b and 'c', then you have to fit a curve to these results

My second query is:Is the fitting process is same for option 6 as for option 2 or 3 or we need to follow different approach?
Your help will definetly help us to shortout the problem.
Looking forward to hearing from you.
Regards 
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