MAJOR BUG FIX IN dipol.F:

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


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MAJOR BUG FIX IN dipol.F:

#1 Post by admin » Wed Dec 05, 2007 10:06 am

for charged cells, the forces were not properly calculated (up to vasp-release 4.6.31). In the latest version (to be downloaded from our ftp-server from today on, Dec 5th,2007), this bug has been fixed .
please note: the dipole correction for the forces work for cubic cells only if the cell is charged
[ Edited ]
Last edited by admin on Wed Dec 05, 2007 10:06 am, edited 1 time in total.

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