Hi all.. My question is in continuation with Riya Rogers answer. She wrote I think for gga n lda its ok bt i m nt sure. But fr vdw etc it should change.
Change in what sense .I mean just change .xc functional to vdw or completely new generation using ATOM program. Thanks in anticipation. On Mon, Aug 8, 2016 at 1:46 PM, Riya Rogers <[email protected]> wrote: > 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, >>>> >>> >>
