what is needed is that ,if nk1,nk2,nk3 are the parameters defining the k-point regular grid, then nk1/nqx1 nk2/nqx2 and nk3/nqx3 must all be whole integer numbers. stefano
Adrain Zhou wrote: > Dear all, > > I am trying to run hybrid functional test. When I > changed the number of nqx1,nqx2 and nqx3. The error > information is "k + q is not an S*k " and stopped. I > checked the readme file in the Exx_example. It says > that the vaule of nqx1,nqx2 and nqx3 must be > compatible with the k-points used (that is k+q must be > equivalent to some other k in the k-points list).Can > anybody please explain more on this sentence to me? > Many thanks! > > Regards, > Adrian > > > ___________________________________________________________ > ???????????? > http://cn.mail.yahoo.com/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
