Optical rotation - what do I do wrong?

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danielhfriese
Posts: 23
Joined: 09 Mar 2015, 15:28
First name(s): Daniel Henrik
Last name(s): Friese
Affiliation: Scientist
Country: Norway

Optical rotation - what do I do wrong?

Post by danielhfriese » 03 Jun 2015, 09:22

Hi,

I want to run a calculation on optical rotations of some helicene derivates and the calculations always fail after input reading with the error message "end-of-file during read". Can anybody tell me what I do wrong in the input? This is the input I am using:
**DALTON INPUT
.RUN RESPONSE
**INTEGRAL
.DIPLEN
.ANGMOM
**WAVE FUNCTIONS
.DFT
CAMB3LYP
**RESPONSE
*LINEAR
.DIPLEN
.DIPMAG
.PRINT
20
.MAXRED
3000
.FREQUE
1
0.0644678
*END

arnfinn
Posts: 231
Joined: 28 Aug 2013, 08:02
First name(s): Arnfinn
Middle name(s): Hykkerud
Last name(s): Steindal
Affiliation: UiT
Country: Norway
Location: UiT The Arctic University of Norway

Re: Optical rotation - what do I do wrong?

Post by arnfinn » 03 Jun 2015, 11:21

Please try "**END OF" instead of "*END".

danielhfriese
Posts: 23
Joined: 09 Mar 2015, 15:28
First name(s): Daniel Henrik
Last name(s): Friese
Affiliation: Scientist
Country: Norway

Re: Optical rotation - what do I do wrong?

Post by danielhfriese » 03 Jun 2015, 12:19

This seems to work. Thank you!

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