I wanted to know what are the relevant input parameter (with LELF = T
) to have a high quality Electron Localization Function?Rgds,
Damien
Concerning ELFCAR
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Damien
Concerning ELFCAR
Dear all,
I wanted to know what are the relevant input parameter (with LELF = T ) to have a high quality Electron Localization Function?
Rgds,
Damien
I wanted to know what are the relevant input parameter (with LELF = T
) to have a high quality Electron Localization Function?Rgds,
Damien
Last edited by Damien on Thu Dec 07, 2006 9:14 am, edited 1 time in total.
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admin
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Concerning ELFCAR
there are no parameters which explicitely have to be set in addition. It is strongly recommended to set PREC=High
Last edited by admin on Thu Dec 07, 2006 10:18 am, edited 1 time in total.