From: Susi L. <sus...@al...> - 2013-08-29 13:05:12
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On Thu, 29 Aug 2013 14:43:01 +0200 Latévi Max LAWSON DAKU <max...@un...> wrote: > I suspect this to be due to the fact that the h-type basis functions > present in the > file are not correctly handled. As you said in a previous e-mail > > http://sourceforge.net/mailarchive/message.php?msg_id=30827892 > > You made the molden reader ignore the g, h and i basis functions, > but, at that time, this was not tested past the g functions. I'd be surprised if anything molden handled h functions or higher. After all, the molden format only supports s, p, sp, d, f and g. http://www.cmbi.ru.nl/molden/molden_format.html -- --------------------------------------------------------------- Mr. Susi Lehtola, PhD Postdoctoral researcher sus...@al... Department of Applied Physics http://www.helsinki.fi/~jzlehtol Aalto University Finland --------------------------------------------------------------- Susi Lehtola, FT Tutkijatohtori sus...@al... Fysiikan laitos http://www.helsinki.fi/~jzlehtol Aalto-yliopisto --------------------------------------------------------------- |