[Wien] GGA-EV

2011-06-08 Thread t...@theochem.tuwien.ac.at
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

[Wien] GGA-EV

2011-06-08 Thread sudhir kumar
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

[Wien] GGA-EV

2011-06-07 Thread AJAY SINGH VERMA
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

[Wien] GGA-EV

2011-06-07 Thread Peter Blaha
_ > 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

[Wien] GGA-EV

2011-06-07 Thread t...@theochem.tuwien.ac.at
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

[Wien] GGA-EV

2011-06-07 Thread Gerhard Fecher
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