Grimme van der Waals

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Lilia Woods · #1 Post by **Lilia Woods** » Mon Aug 23, 2010 4:09 pm

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

QZhu · #2 Post by **QZhu** » Fri Oct 22, 2010 8:03 pm

I'm meeting the same problem. Could anybody tell me how to activate the option in vasp 5.2.2?

yargk · #3 Post by **yargk** » Sat Oct 30, 2010 12:20 am

I am having the same problem. I have 5.2.8 and the calculation appears no different if I use the LVDW = .TRUE. option.

#4 Post by **admin** » Wed Nov 03, 2010 9:22 am

van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10

#5 Post by **admin** » Wed Nov 03, 2010 9:31 am

van der Waals interactions will be fully supported in the upcoming release vasp.5.2.10

dsiegel · #6 Post by **dsiegel** » Thu Nov 04, 2010 7:50 pm

What is the expected release date of vasp 5.2.10?

yuxiao_zihan · #7 Post by **yuxiao_zihan** » Sun Nov 21, 2010 12:57 am

In the recent JPCA paper of Tomas Bucko, it was written that vasp.5.2.8 should have already done the vdw calcualtion.