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Re^9: Can we find LUMO to HOMO transitions using Firefly-8.0.1?

Siddheshwar Chopra
sidhusai@gmail.com


Dear Alex,
A very strange thing happened.. The error mentioned below occured when I ran a CHECKRUN...however the program continued properly when I didnt run a checkrun.. or when I ran it normally... what is the reason for it and what does this error mean??

Regards,


On Sun Mar 30 '14 6:49pm, Alex Granovsky wrote
----------------------------------------------
>Dear Siddheshwar,

>Please send me off list your exact input file.

>Kind regards,
>Alex Granovsky
>
>
>
>On Sun Mar 30 '14 5:59pm, Siddheshwar Chopra wrote
>--------------------------------------------------
>>Dear Alex and Thomas,
>>I upgraded 8.0.1 to 8.1.0 and ran the TDDFT calculation again...This time I got the following error::

>> *** ERROR *** ATTEMPT TO READ A DAF RECORD THAT WAS NEVER WRITTEN.
>> RECORD NUMBER �303 OF LENGTH � � 24964 DOES NOT EXIST.

>>Please help..

>>Regards,

>


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