Sent to CCL by: "Leonardo Moreira Costa" [leomdcosta,yahoo.com.br]
Hi everbody!
I trying to use CCSD(T)/aug-cc-pvtz method in my calculations, but The folowing
error always occur.
dumping /fiocom/, unit = 2 NFiles = 8 SizExt = 0 WInBlk = 512
defal = F LstWrd = 908288 FType=2 FMxFil=10000
Number 0 508 522 536 538 634
670 998
Base 906413 23426 23491 612107 759260 24573
20480 23441
End 908288 23441 24573 759260 906413 612107
23426 23491
End1 908288 23441 24573 759260 906413 612107
23426 23491
Wr Pntr 906413 23426 23491 612107 759260 24573
20480 23441
Rd Pntr 906413 23426 23491 612107 759260 24573
20480 23441
Length 1875 15 1082 147153 147153 587534
2946 50
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.
I do not know what to do. I have tried some modifications in the input, but none
of them helped me. My key words line is:
#p CCSD(T)/aug-cc-pvtz
I have tried the folowing modification, for example.
#p CCSD(FC, T, MaxCyc=2000)/aug-cc-pvtz
But it did not work.
Can anyone help me?
I am Leonardo Costa, phd student from UFF in Brazil(leomdcosta:yahoo.com.br)>