Re: [Wien] precise decimal digits for COA ratio

I received a reply from Dr. M Jamal and what he adviced (amended below) solved my issue. "If you have all of your scf file, run 2Doptimize.job file again. It restores all of your Vconst files." regardsChin S. On Saturday, 28 July, 2018, 2:45:16 AM IST, Peter Blaha wrote: I don't

[Wien] precise decimal digits for COA ratio

Dear Peter Sir I have done 2D optimization for a case and I need to make Vconst* files (manually, I deleted some that ana2D code gave).For example, I need to prepare like this: 31.539224 13.55935 5021.80108 -197506.77004096 2.32601297259824401612    V-15.0_COA_-6.0 Here I see the decimal value