Search found 3 matches

by UTPBChem
Wed Sep 01, 2010 11:48 pm
Forum: Many-body perturbation theory
Topic: Dielectric constant in output
Replies: 4
Views: 3925

Re: Dielectric constant in output

I was thinking that the "****" was manifested due to Fortran and huge dielectric constant values, just needed someone else's input. Thank you, Fabien, for assisting me on this matter. I need to go back and re-define my system. Regards.
by UTPBChem
Mon Aug 30, 2010 6:32 pm
Forum: Many-body perturbation theory
Topic: Dielectric constant in output
Replies: 4
Views: 3925

Re: Dielectric constant in output

Oops. Sorry, Fabien. Thank you for your attention. Kyle # SiGW ndtset 3 # nbandkss1 -1 nband1 9 istwfk *1 # optdriver2 3 getkss2 -1 nband2 17 ecutwfn2 2.1 ecuteps2 3.6 ppmfrq2 16.7 eV # optdriver3 4 getkss3 -2 getscr3 -1 nband3 30 ecutwfn3 5.0 ecutsigx3 6.0 nkptgw3 1 kptgw3 -0.125 0.000 0.000 bdgw3 ...
by UTPBChem
Fri Aug 27, 2010 6:34 pm
Forum: Many-body perturbation theory
Topic: Dielectric constant in output
Replies: 4
Views: 3925

Dielectric constant in output

I am going through the GW tutorial with v5.7.3. The first tutorial completed; however, the dielectric constant and dielectric constant without local fields were reported in the *.out file as "dielectric constant= ********" "dielectric constant without local fields= ******" Really...