[Wien] Van der Waal force inclusion
Dileep Krishnan
dileep at jncasr.ac.in
Tue Aug 12 10:31:05 CEST 2014
Dear developers,
I had sent a mail asking about the release of Wien2k_14. I asked on May 22 and got a reply that it will be released within another 3-4 weeks. But the updated version is not available yet. When can I expect it?
-
Dileep Krishnan,
Int. Ph. D Student,
International Centre for Materials Science (ICMS),
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),
Jakkur, Bangalore-560064,
INDIA.
----- Original Message -----
From: "Dileep Krishnan" <dileep at jncasr.ac.in>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, August 1, 2014 12:07:16 PM
Subject: Re: [Wien] Van der Waal force inclusion
When will be wien2k_14 released? I am waiting for it for doing DFTD3 calculation.
- thanks
----- Original Message -----
From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, May 22, 2014 4:43:56 PM
Subject: Re: [Wien] Van der Waal force inclusion
DFTD3 (and previous version) will be included in the next release of
WIEN2k (in about 3-4 weeks).
On 05/22/2014 12:10 PM, Dileep Krishnan wrote:
> Hello users and developers,
>
> Is there any way to perform the DFTD2 method in any version of WIEN2k? I wanted to include Van der Waal's interactions to my bulk MoS2 calculations.
>
--
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WWW:
http://info.tuwien.ac.at/theochem/
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--
Dileep Krishnan,
Int. Ph. D Student,
International Centre for Materials Science (ICMS),
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),
Jakkur, Bangalore-560064,
INDIA.
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