I've been getting a fair number of errors when trying to open .fchk files with gaussview 4.x that I've generated using g09. In particular, I've been getting this:
Thinking that it might have something to do with the version of gaussview being too old, I tried gaussview 5.x, which throws the same error. Gaussview (4.x), by the way, runs fine in wine 1.7.
Turns out it's a poorly written piece of software -- gaussview can't properly parse output generated by gaussian. Great...neither piece of software is cheap. Better yet, gabedit does not have any issue reading the unmodified fchk file.
If you do need to use gview though, the solution is outlined here: http://www.ccl.net/cgi-bin/ccl/message-new?2012+07+18+005
Briefly, edit your fchk file and change the "Number of basis functions" to the same number as is shown for the "Number of independent functions" i.e. change
Thinking that it might have something to do with the version of gaussview being too old, I tried gaussview 5.x, which throws the same error. Gaussview (4.x), by the way, runs fine in wine 1.7.
Turns out it's a poorly written piece of software -- gaussview can't properly parse output generated by gaussian. Great...neither piece of software is cheap. Better yet, gabedit does not have any issue reading the unmodified fchk file.
If you do need to use gview though, the solution is outlined here: http://www.ccl.net/cgi-bin/ccl/message-new?2012+07+18+005
Briefly, edit your fchk file and change the "Number of basis functions" to the same number as is shown for the "Number of independent functions" i.e. change
to
1 alpha
2 FOpt RB3PW91 Gen
3 Number of atoms I 101
4 Info1-9 I N= 9
5 89 86 0 0 0 100
6 2 18 -602
7 Charge I 7
8 Multiplicity I 1
9 Number of electrons I 530
10 Number of alpha electrons I 265
11 Number of beta electrons I 265
12 Number of basis functions I 2015
13 Number of independent functions I 2005
14 Number of point charges in /Mol/ I 0
15 Number of translation vectors I 0
1 alpha
2 FOpt RB3PW91 Gen
3 Number of atoms I 101
4 Info1-9 I N= 9
5 89 86 0 0 0 100
6 2 18 -602
7 Charge I 7
8 Multiplicity I 1
9 Number of electrons I 530
10 Number of alpha electrons I 265
11 Number of beta electrons I 265
12 Number of basis functions I 2005
13 Number of independent functions I 2005
14 Number of point charges in /Mol/ I 0
15 Number of translation vectors I 0
And that's it.
This is dummy text. It is not meant to be read. Accordingly, it is difficult to figure out when to end it. But then, this is dummy text. It is not meant to be read. Period.
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