On Tue, Jul 17, 2012 at 6:24 PM, Javier Cerezo jcb1-*-
um.es <owner-chemistry%%ccl.net> wrote:
Sent to CCL by: Javier Cerezo [jcb1- -um.es]
It seems to be a bug in your gv version (I also have the same problem). The
workaround I'm using is:
1) Convert your chk in fchk: formchk yourfile.chk
2) Inspect the fchk file. Near the header you have info about number of basis
set. The problem (at least in my case) arises when "Number of basis
functions" is not the same as "Number of independent basis
functions". To make it work you need to edit the file making Number of
basis functions=Number of independent basis functions.
The edited fchk file should be opened with no problems by gv.
Javier
El 17/07/12 09:48, Hyunbok Lee mutebeat!^!gmail.com escribió:
Sent to CCL by: "Hyunbok Lee" [mutebeat||gmail.com]
Deal all,
I opened chk file on GaussView, but it showed following error message:
CConnectionGFCHK::Parse_GFCHK()
Missing or bad data: Alpha Ortbial Energies
Line Number 1737
I think the calculation is done without a problem.
What is the problem? and what is the meaning of this error message?
Any advise will be appreciated.
Thanks in advance.
Hyunbok Lee>
--
Javier CEREZO BASTIDA
PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tel: (+34)868887434