Author Topic: weird_eht_2nd  (Read 4764 times)

Kiwinator

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weird_eht_2nd
« on: December 10, 2007, 02:52:59 pm »
For a Rb (LANL2DZ ECP) it's not possible to do a eht guess, when the atom is in the first line of the coord file, by changing the order of the atoms in the coord file, this problem vanishes ???.

Any suggestions???
« Last Edit: January 17, 2008, 02:31:14 pm by Kiwinator »

uwe

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Re: weird_eht_2nd
« Reply #1 on: February 13, 2008, 06:41:58 am »
Hi,

could you please send problems that might be real bugs to the Turbomole support? Even if your support ran out and you did nor renew it, we rely on user feedback to get rid of bugs. We can not fix any if we have no knowledge about them...

Please send your input, Turbomole version, and a description of the error to the support.

Thanks!

Uwe


resofidentity

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Re: weird_eht_2nd
« Reply #2 on: March 10, 2008, 09:27:34 am »
Hi Uwe,

a similar problem is described in my post "dummy atom and ecp".

best regards