Dear Molpro-users, I am trying to view the orbitals saved as text file that can be read by Molden. In order to get this I've used the following line in the input file:
put,molden,PERetTSplanarcas.molden I did it before successfully with Version 98.1, but not now with Version 2000.1. The problem is in text file with orbitals I am getting, it does not contain the orbital information (see below). Is there any way to force program to produce correct molden file with orbital information like it was in older version? I would be very grateful for any helpful information. Thanks, Olga Dmitrenko Part of my PERetTSplanarcas.molden file obtained with Version 2000.1: Ene= 2.0000 Spin= Alpha Occup= 2.000000 1 0.00000000000 2 0.00000000000 3 0.00000000000 4 0.00000000000 5 0.00000000000 6 0.00000000000 7 0.00000000000 8 0.00000000000 9 0.00000000000 10 0.00000000000 ......... 100 0.00000000000 101 0.00000000000 102 0.00000000000 Ene= 2.0000 Spin= Alpha Occup= ******** 1 0.00000000000 2 0.00000000000 3 0.00000000000 4 0.00000000000 5 0.00000000000 6 0.00000000000 7 0.00000000000 8 0.00000000000 9 0.00000000000 10 0.00000000000
