Well, one might in principle perform a non-scf calculation starting from a potential that is not the scf one. Not sure why would anybody want to do so. Paolo
Il 01/nov/2016 02:36 PM, "dario rocca" <roc...@gmail.com> ha scritto: > Dear Q.J. Wang, > No, it is not possible. > In a nscf calculation you need to "fix" your Hamiltonian which is > determined from a previous scf calculation. > Best, > Dario Rocca > > On Tue, Nov 1, 2016 at 2:06 PM, Q.J.Wang <wang...@126.com> wrote: > >> Dear QE developer, >> I want to know whether QE can perform a nscf calculation without a scf >> calculation? >> >> >> >> -- >> Best regards >> >> Q.J.Wang >> >> XiangTan University >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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