TURBOMOLE Users Forum

TURBOMOLE Modules => Define => Topic started by: Kiwinator on December 10, 2007, 02:52:59 PM

Title: weird_eht_2nd
Post by: Kiwinator 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???

Title: Re: weird_eht_2nd
Post by: uwe 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