I think for gga n lda its ok bt i m nt sure. But fr vdw etc it should change.
On 08-Aug-2016 1:29 pm, "Seyed Mohammad Tabatabaei" <[email protected]> wrote: > That is also my question. It seems that no one is going to help. > > On Mon, Aug 8, 2016 at 11:49 AM, Riya Rogers <[email protected]> > wrote: > >> Dear all >> >> If I am using GGA PBE and I used psedopotentials from siesta site. >> >> Should I generate or is it ok to proceed with it? >> >> Please clarify... >> >> Thanks >> >> On 04-Aug-2016 9:56 pm, "gagandeep Kaur" <[email protected]> wrote: >> >>> Thanks sir..bt wat abt .psf files?? >>> >>> >>> Sent from Samsung Mobile >>> >>> >>> -------- Original message -------- >>> From: Seyed Mohammad Tabatabaei >>> Date:04/08/2016 6:49 PM (GMT+05:30) >>> To: [email protected] >>> Subject: Re: [SIESTA-L] VDW Calculations >>> >>> Hi, >>> >>> I think you should set the following flags in your fdf file: >>> >>> XC.Functional VDW >>> XC.authors DRSLL >>> >>> Bests, >>> Mohammad, >>> >> >
