Hi,
I had a problem using the ANO-RCC basis set in DFT. This basis is used for Yb ions, whereas for all the other atoms I use ahlrichs_vtz.
Below is the final part of the output:
Superposition of Atomic Density Guess
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cguess.fh: increase nb to 684
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current input line :
136: task dft energy
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In another thread it has been suggested to increase the value of the parameter nb, but in this case it has been already done, in fact has been increased from 500 all the way to 680. However the same problem persists.
Does someone know what is the problem?
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