problems in LDA-TM potential

Moderators: jbeuken, jzwanzig, gonze

problems in LDA-TM potential

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

Dear All

are the LDA-TM potentials ( ... nks/lda_tm) are scalar relativisitic or non-relativistic potential?

Posts: 10
Joined: Thu Mar 25, 2010 11:26 am

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
User avatar
Posts: 499
Joined: Mon Aug 17, 2009 9:25 am

Return to Testing and Documentation

Who is online

Users browsing this forum: No registered users and 1 guest