[Pw_forum] Problem with FPMD

Silviu Zilberman silviu at Princeton.EDU
Wed Nov 2 08:12:14 CET 2005


Dear Paul,

 FPMD and CP were merged to a single code (cp.x), as you could see if 
you download the cvs version. Try using this version, it should be 
consistent with PWSCF.

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
>
>
>  
>




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