Page 1 of 1

Grimme van der Waals

Posted: Mon Aug 23, 2010 4:09 pm
by Lilia Woods
Hello,

I read the previous comments regarding the van der Waals correction in vasp according to Grimme's recipe. My question is: when do the developers anticipate to release that option? In other words, do they plan to do this in 2-3 months, a year, ...?

Some van der waals related files are distributed with the 5.2.2 version but they are not active. Has anybody figured out how to take advantage of this option even though it is not officially available yet?

Thanks,
Lilia

Grimme van der Waals

Posted: Fri Oct 22, 2010 8:03 pm
by QZhu
I'm meeting the same problem. Could anybody tell me how to activate the option in vasp 5.2.2?

Grimme van der Waals

Posted: Sat Oct 30, 2010 12:20 am
by yargk
I am having the same problem. I have 5.2.8 and the calculation appears no different if I use the LVDW = .TRUE. option.

Grimme van der Waals

Posted: Wed Nov 03, 2010 9:22 am
by admin
van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10

Grimme van der Waals

Posted: Wed Nov 03, 2010 9:31 am
by admin
van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10

Grimme van der Waals

Posted: Thu Nov 04, 2010 7:50 pm
by dsiegel
What is the expected release date of vasp 5.2.10?

Grimme van der Waals

Posted: Sun Nov 21, 2010 12:57 am
by yuxiao_zihan
In the recent JPCA paper of Tomas Bucko, it was written that vasp.5.2.8 should have already done the vdw calcualtion.