Author Topic: tm2molden, norm of d-functions  (Read 5504 times)

sebastian

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tm2molden, norm of d-functions
« on: April 27, 2009, 05:15:49 PM »
Hi there,
we use tm2molden coming with turbomole v.580 for generation of molden-readable files. The norm of d and presumably of higher functions is obviously not correct as the integration of the density over a grid e.g. with DGRID does not yield the correct number of electrons (also not for very fine grids!). Does anybody know a remedy? Are there "newer" versions of tm2molden or is alternative software available? We would be grateful for any hint!

Thanks for your help in advance,
Sebastian

CoJack

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Re: tm2molden, norm of d-functions
« Reply #1 on: May 18, 2009, 02:02:40 PM »
I have the same problem! No remedy known yet...
J.