[Wien] Support for runfsm_lapw with -eece switch

Daniel Ioan Bilc Daniel.Bilc at ulg.ac.be
Fri Apr 3 11:28:52 CEST 2009


Dear Professor Blaha and all wien mailing list users!

I would like to know if it is possible to support the runfsm_lapw script
also for -eece switch.
I'm performing hybrid calculations using B1-WC functional. Using
runsp_lapw script the calculations do not converge to the ground state,
which is nonmagnetic given by runsp_c_lapw.
In order to study the instability toward ferromagnetism it is required
to run fix spin magnetic calculations. It will be nice if fix spin
magnetic calculations will be possible for hybrid functionals.
Thank you very much in advance!

Daniel Bilc
research associate at
University of Liege





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