t; sudhir
>
>
>
> --- On Tue, 7/6/11, AJAY SINGH VERMA wrote:
>
> From: AJAY SINGH VERMA
> Subject: [Wien] GGA-EV
> To: "wien zeus"
> Date: Tuesday, 7 June, 2011, 14:27
>
>
>
>
> Dear all users and Blaha Sir,
> Please clarify me that m
look into the SRC_lstart for the different option of the exchange
sudhir
--- On Tue, 7/6/11, AJAY SINGH VERMA wrote:
From: AJAY SINGH VERMA
Subject: [Wien] GGA-EV
To: "wien zeus"
Date: Tuesday, 7 June, 2011, 14:27
Dear all users and Blaha Sir,
Please clarify me that many pap
Dear all users and Blaha Sir,
Please clarify me that many papers quotes the results with EV-GGA functional,
but iam unable to find it out in the Userguide
thanking u.
A S Verma
-- next part --
An HTML attachment was scrubbed...
U
_
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
> zeus.theochem.tuwien.ac.at]" im Auftrag von"tran at
> theochem.tuwien.ac.at [tran at theochem.tuwien.ac.at]
> Gesendet: Dienstag, 7. Juni 2011 11:06
> Bis: A Mailing list for WIEN2k users
> Betreff
The EV-GGA functional corresponds to indxc=15 in case.in0.
This means EV93 for exchange and PW91 for correlation.
On Tue, 7 Jun 2011, AJAY SINGH VERMA wrote:
>
> Dear all users and Blaha Sir,
> Please clarify me that many papers quotes the results with EV-GGA functional,
> but iam unable to fin
11 11:06
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] GGA-EV
The EV-GGA functional corresponds to indxc=15 in case.in0.
This means EV93 for exchange and PW91 for correlation.
On Tue, 7 Jun 2011, AJAY SINGH VERMA wrote:
>
> Dear all users and Blaha Sir,
> Please clarify me tha
6 matches
Mail list logo