From NWChem
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| 9:30:10 PM PST - Fri, Jan 20th 2017 |
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Hi NWChem folk,
I run constrained DFT with combining multiple fragment MOs guess files. Here is my input & output [1]. During CDFT calculation process, I got the error message CDFT: Unable to improve the multipliers'. I googled the solution but I found that nobody in NWChem forum has mentioned about this issue before. Please suggest me what caused this error and the way to overcome it.
Your help would be appreciated for me.
Thank you.
Rangsiman
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Edited On 8:06:17 PM PDT - Fri, Jul 7th 2017 by Rangsiman
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Clicked A Few Times
Threads 8
Posts 22
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| 10:02:33 AM PST - Fri, Mar 9th 2018 |
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Now I fixed the problem by adding ODFT keyword in DFT subroutine. 
Rangsiman
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