Grimme van der Waals
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 4
- Joined: Mon Aug 23, 2010 1:36 pm
Grimme van der Waals
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
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
Last edited by Lilia Woods on Mon Aug 23, 2010 4:09 pm, edited 1 time in total.
-
- Newbie
- Posts: 1
- Joined: Fri Oct 22, 2010 7:47 pm
Grimme van der Waals
I'm meeting the same problem. Could anybody tell me how to activate the option in vasp 5.2.2?
Last edited by QZhu on Fri Oct 22, 2010 8:03 pm, edited 1 time in total.
-
- Newbie
- Posts: 8
- Joined: Wed Feb 17, 2010 7:16 pm
- License Nr.: 5-580
- Location: UC Berkeley
Grimme van der Waals
I am having the same problem. I have 5.2.8 and the calculation appears no different if I use the LVDW = .TRUE. option.
Last edited by yargk on Sat Oct 30, 2010 12:20 am, edited 1 time in total.
Keith
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Grimme van der Waals
van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10
Last edited by admin on Wed Nov 03, 2010 9:22 am, edited 1 time in total.
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Grimme van der Waals
van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10
Last edited by admin on Wed Nov 03, 2010 9:31 am, edited 1 time in total.
-
- Newbie
- Posts: 2
- Joined: Thu Aug 03, 2006 7:05 pm
Grimme van der Waals
What is the expected release date of vasp 5.2.10?
Last edited by dsiegel on Thu Nov 04, 2010 7:50 pm, edited 1 time in total.
-
- Newbie
- Posts: 23
- Joined: Mon May 28, 2007 12:18 pm
- Location: ENS de Lyon, Lyon, France
- Contact:
Grimme van der Waals
In the recent JPCA paper of Tomas Bucko, it was written that vasp.5.2.8 should have already done the vdw calcualtion.
Last edited by yuxiao_zihan on Sun Nov 21, 2010 12:57 am, edited 1 time in total.