Can't activate Van Der Waals calculation in 5.4.1

Problems running VASP: crashes, internal errors, "wrong" results.


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chelman
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Can't activate Van Der Waals calculation in 5.4.1

#1 Post by chelman » Thu Jun 30, 2016 9:51 pm

Hello

I'm trying to calculate graphite with Van Der Waals correction.
The manual indicates that the tag IVDW=1 activate the method, however we obtain an error message at the end of the scf:

" Error reading item 'IVDW' from file INCAR "

We try LVDW=.TRUE. combined with the IVDW tag. The VDW correction is activated, as declared in the OUTCAR file,
but we still obtain the same error massage after the scf, which by the way ends without any issue.
That means that we can activate the correction but we can NOT choose the method.

The vasp version as reported in the begining of the OUTCAR file is:
vasp.5.4.1 24Jun15 (build Apr 14 2016 16:41:00) complex

No error were found at compilation time.

thanks in advance

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Re: Can't activate Van Der Waals calculation in 5.4.1

#2 Post by admin » Wed Jul 13, 2016 10:24 am

Write the whole command line by hand (LVDW = 1).
By cut&paste extra characters can be inserted, which are
not displayed and cause that the tag is not recognized.

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