can the vasp code before 4.6.31 calculate Bader?
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can the vasp code before 4.6.31 calculate Bader?
I learn from the forum that if one want to do Bader analysis, he must calculate the core charge. I want to know whether the version of vasp 4.6.31 is mandatory.
Re: can the vasp code before 4.6.31 calculate Bader?
Version 4.6.31 or later is needed to write the core charges. In some cases, the core charge is essential for the accurate calculation of Bader charges.