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Re^3: Geometry optimization in two dimensions

pejer
fajriah@gmail.com


Now the error found! There is a wrong format in IFREEZ.

It should be

IFREEZ(1)=1,2,3,4,5,6,7,8,9,10,11,12,
13,14,15,16,17,18,19,20,21,22,23,24

rather than

IFREEZ(1)=1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24

So, it is possible to freeze coordinates in cartesian.

Thanks firefly!

Best regards,
Pejer

[ This message was edited on Thu Mar 6 '14 at 10:53am by the author ]


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