[Pw_forum] Problem with FPMD

[Silviu Zilberman]

In order to use some of the fpmd features in the combined code you have 
to specify:

calculation = 'fpmd'

in the &CONTROL name list. See INPUT_CP for more details:

calculation    CHARACTER ( default = 'cp' )
...
               fpmd     = CP works in FPMD compatibility mode, with all FPMD
                          features not yet ported in CP, but works only for
                          norm-conserving pseudopotentials
...

Silviu.

Paul Tangney wrote:

>Dear FPMD user(s),
>
>I just relaxed the same system with PWSCF and FPMD
>and got *completely* different results. Forces
>and energies were even different for the starting
>configuration. I did an electron minimization on the
>system with CP and it agreed with PWSCF.
>I checked different electron minimization schemes
>within FPMD and they were all consistent with one
>another, so maybe it just isn't reading the
>pseudopotentials properly.
>
>Nobody answered my last question about whether FPMD is
>being maintained, so maybe its not, but if there is another
>user out there, you should know : It may not be working properly.
>This is a great pity - its a very nice code.
>
>I can provide details (input files etc..) if anyone is interested.
>The PP's were downloaded from pwscf.org.
>
>Regards,
>
>Paul
>
>
>  
>