Questions tagged [molden]

For questions concerning Molden, a molecular and electronic structure visualization program.

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MOLDEN file from ORCA output

I'm trying to convert an ORCA output file into MOLDEN file (via molden itself). I hit the "Write" button and it converts the file, yes, but the displacement vector s are zeros. I need that ...
Andrea Pellegrini's user avatar
10 votes
1 answer

How to interpret molden AO/MO coefficients?

A simple calculation with Molpro 2012 on H2 molecule in cc-pvtz basis produces a molden file with 28 molecular orbitals. Each MO is defined with 30 AO/MO coefficient, but the number of symmetric AOs ...
Alex L.'s user avatar
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10 votes
1 answer

Molden installation on macOS?

Today I tried to get an access to Molden to install it and use for processing the results of my calculations. Unfortunately the ftp seems to be down or is it only my personal connection issues? My ...
Dmitry Eremin's user avatar