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I'm trying to perform an NTO analysis (Natural transition orbitals) for my system. I first used TDDFT to calculate the excited states and then generated my chk file and copied it under the name of state_3.chk. I seemed to get a 2070 error.

Input

%chk=state_3.chk # B3LYP/6-31G* Geom=AllCheck Guess=(Read,Only) Density=(Check,Transition=3) Pop=(Minimal,NTO,SaveNTO)

Error

 dumping /fiocom/, unit = 3 NFiles =     1 SizExt =    524288 WInBlk =       512
                   defal = T LstWrd =       67072 FType=2 FMxFil=10000

 Number           0
 Base         20480
 End          67072
 End1         67072
 Wr Pntr      20480
 Rd Pntr      20480
 Length       46592
 Error termination in NtrErr:
 NtrErr Called from FileIO.
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    $\begingroup$ Usually, when the output file ends with "NtrErr Called from FileIO", the final part of the output file (~a few hundred lines) does not contain any information about the source of the error. You have to scroll up and skip all the "dumping /.../" messages in order to find the real cause of the error. $\endgroup$
    – wzkchem5
    Commented Jun 16, 2022 at 10:18
  • $\begingroup$ I gave my +1 long ago, and I'm sorry that it was the only +1 you got, but can you let us know if you figured this out now? Was wzkchem5's comment helpful? It's been 6+ months so it would be nice to get an update! $\endgroup$ Commented Dec 31, 2022 at 3:14
  • $\begingroup$ thanks for the answer sir $\endgroup$
    – diamond999
    Commented Dec 31, 2022 at 10:15

1 Answer 1

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From the [comment by wzkchem5](Usually, when the output file ends with "NtrErr Called from FileIO", the final part of the output file (~a few hundred lines) does not contain any information about the source of the error. You have to scroll up and skip all the "dumping /.../" messages in order to find the real cause of the error.):

"Usually, when the output file ends with "NtrErr Called from FileIO", the final part of the output file (~a few hundred lines) does not contain any information about the source of the error. You have to scroll up and skip all the "dumping /.../" messages in order to find the real cause of the error."

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