[Pw_forum] Using bands.x to extra band structure info
stewart at cnf.cornell.edu
stewart at cnf.cornell.edu
Mon Aug 14 18:07:33 CEST 2006
Hi all,
I would like to use bands.x to extract the band structure data from a
nscf calculation. However, when I try to run it, it states that it needs
the potential file. How do I insure this is generated in the nscf
calculation. Currently it just outputs the wavefunction and charge files.
I am using version 3.0 for these calculations.
Thanks in advanced,
Derek
################################
Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856
More information about the Pw_forum
mailing list