On Thu, 2014-10-09 at 17:59 +0800, dingfu.shao wrote: > I want to calculate the Fermi surface nesting function, which > needs a Fermi surface calculation with a very dense grid of kpoints. > However, the default Max number of k-points is 40,000. Can I increase > the value?
from the user guide: "There are a few adjustable parameters in Modules/parameters.f90" http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node12.html P. > Yours > DF Shao > > Institute of solid state physics, CAS > Hefei, China > > > > > > ______________________________________________________________________ > dingfu.shao > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
