[Wien] Confusion on starting prec 2 after prec 1 on the same struct file.

[Pranjal Nandi]

Dear All,

Hello.

Version 23.2

Suppose if I do a calculation with prec 1 and then I save everything that I need (save_lapw). On the same structure I would like to do the same calculations BUT this time with prec 2.

In this case, when I run SCF, do I need to delete the old scf files or can I keep continuing from the old ones (in w2web when you click on Run SCF, they give you the option to save/delete or continue from the previous data)?

I would like to kindly confirm what is the correct way to do (to optimise time).

Kindly let me know.

Thank you.

With warm regards,
Pranjal




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