problems in LDA-TM potential

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problems in LDA-TM potential

Postby ntuxi » Fri Jan 02, 2015 10:32 am

Dear All

are the LDA-TM potentials (http://www.abinit.org/downloads/psp-lin ... nks/lda_tm) are scalar relativisitic or non-relativistic potential?

Thanks
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Re: problems in LDA-TM potential

Postby jzwanzig » Tue May 05, 2015 6:25 pm

most probably scalar relativistic as that is the default of the fhi98 generator.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
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