did they start
> running an scf at the end of a vc-relax calculation?
>
>
>
>
> From: Giuseppe Mattioli
> To: PWSCF Forum
> Sent: Wednesday, July 13, 2011 1:04 AM
> Subject: Re: [Pw_forum] Using the outdir from vc-relax
>
>
> Wh
: [Pw_forum] Using the outdir from vc-relax
Which QE version are you using? The newest ones should perform an scf cycle at
the end of a vc-relax calculation, which should allow one to obtain
meaningful projwfc.x results.
On Tuesday 12 July 2011 22:41:40 Izaak Williamson wrote:
> Hello every
Which QE version are you using? The newest ones should perform an scf cycle at
the end of a vc-relax calculation, which should allow one to obtain
meaningful projwfc.x results.
On Tuesday 12 July 2011 22:41:40 Izaak Williamson wrote:
> Hello everyone,
>
>
> When I run a vc-relax calculations an
Hello everyone,
When I run a vc-relax calculations and attempt running projwfc, it does not
give me the correct charge on the atoms. When I run projwfc on relax
calculations (for the same system), however, it works fine. Is there a problem
with vc-relax that is not allowing projwfc to work wit
