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Generating initial guess for the SCF calculation..

  • tcclab
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6 years 1 week ago #662 by tcclab
Replied by tcclab on topic Generating initial guess for the SCF calculation..
Dear Peter,

Your message 'scf > out 2> errorfile ' reminds me to check the scf program.
Yes, there is another program named scf in {PATH}.
Now, we fix the problem.

Thank you very much and have a nice weekend!

Jilai

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  • nagypeter
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6 years 1 week ago #663 by nagypeter
Replied by nagypeter on topic Generating initial guess for the SCF calculation..
Dear Jilai,

That is great, thank you for letting us know.
I hope you will be able to use our program successfully from now.

All the best,
Peter

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