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I have never used this particular expectation value, but I can suggest two points: 1. You should rather use the built-in routine that processes this file, it is called plot_expval . Just change current directory in your shell to the one containing 'expval.data' and run plot_expval. Use this until yo...

Hi! expval.data is a flat text file, i believe you can import it with every programming language. For example in Matlab I do: fid = fopen(['./expval.data'],'r'); indata = textscan(fid, '%f', 'HeaderLines',10055); fclose(fid); Here 'indata' is a cell array which can be subsequently converted into mat...

Dear Casino users (and especially Neil)! Could you please give me any hints on some questions concerning the example distributed within input/exmol directory? 1. Firstly, have you published these (or similar) results produced by Casino, especially concerning typical benchmarks for positron systems: ...

Dear Casino users/developers! Could you please explain me (or provide any useful references concerning) some questions on the structure of Gaussian-type basis for a wave function which is used in the CASINO input file? 1. I am trying to understand why the number of items in EIGENVECTOR COEFFICIENTS ...

I see... but the question seems to be interesting (at least for me!). Here are some of my mistakes: 1. Firstly, the term “width” in my first message was wrong. The size of a square well in Casino is defined by diameter, which is indeed a “width”, then it is divided by two to get a radius. I initiall...

Dear experienced Casino users! Could you help me to reproduce the problem from quantum mechanics textbook by means of QMC and Casino? I attach two files for Casino: Input and expot.data The last file contains the finite “square” potential well of 1 a.u. depth and 3 a.u. width. The shift is made to g...

Hello Mike,
many thanks for the detailed answer, I think it's enough for me for now.

Not Russian are you, by any chance?

How did you guess?

Dear "CASINO" users, I will be grateful for any ideas or references (examples) about my simple (or even silly) question. I started to get into the program from the example of atomic hydrogen (namely ..examples/atom/hydrogen) supplied with the code. In my opinion it's done in an exceptional...