Re: [Wien] Van der Waal force inclusion

2014-08-12 Thread Dileep Krishnan
: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 pbl...@theochem.tuwien.ac.at To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at Sent

Re: [Wien] Van der Waal force inclusion

2014-08-12 Thread Pascal BOULET
Subject: Re: [Wien] Van der Waal force inclusion 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

Re: [Wien] Van der Waal force inclusion

2014-08-01 Thread Dileep Krishnan
] 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

[Wien] Van der Waal force inclusion

2014-05-22 Thread Dileep Krishnan
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. -- Dileep Krishnan, Int. Ph. D Student, International Centre for Materials Science (ICMS), Jawaharlal Nehru Centre

Re: [Wien] Van der Waal force inclusion

2014-05-22 Thread Peter Blaha
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