Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Re: Multiwfn and wavefunction analysis » convert chk to fchk file » 2024-08-28 05:51:01

Dear Tian Lu:
I obtained chk file from cluster system (linux version of g-16), I tried to convert the chk into fchk using windows version of g-16 but the utility says something like below: 
****
Bad file opened by FileIO:  Unit=1 I=  2 FPrev=***** FCur=    0.
FileIO: IOper= 9 IFilNo(1)=     1 Len=           0 IPos=           0 Q=         10167860
Bad file opened by FileIO:  Unit=1 I=  2 FPrev=***** FCur=    0.
FileIO: IOper= 9 IFilNo(1)=     1 Len=           0 IPos=           0 Q=         10167860
Error termination in NtrErr:
NtrErr Called from FileIO.
****

Can you help me to solve the problem.

Board footer

Powered by FluxBB