Re: Multiwfn 3.8 (win version)-GAMESS-US NPRINT error

dummy@example.com (sobereva) — Thu, 24 Sep 2020 01:19:39 +0000

Your task hasn't normally finished, therefore the orbital expansion coefficient matrix has not been outputted yet.

Multiwfn 3.8 (win version)-GAMESS-US NPRINT error

dummy@example.com (NickD) — Wed, 23 Sep 2020 15:59:22 +0000

Hello

I am trying to read a GAMESS-US output file and I get an error as

ading basis set definition...
Loading orbitals...
Error: Unable to find orbital coefficients field! The NPRINT parameter must be set to default value

However, I have not used the NPRINT command in my input file. This means its should be the default value of 7. This is verified in the output.

$CONTRL OPTIONS
---------------
SCFTYP=RHF RUNTYP=ENERGY EXETYP=RUN
MPLEVL= 0 CITYP =NONE CCTYP =NONE VBTYP =NONE
DFTTYP=PBE0 TDDFT =NONE
MULT = 1 ICHARG= 0 NZVAR = 0 COORD =UNIQUE
PP =READ RELWFN=NONE LOCAL =NONE NUMGRD= F
ISPHER= 1 NOSYM = 0 MAXIT = 200 UNITS =ANGS
PLTORB= F MOLPLT= F AIMPAC= T FRIEND=
NPRINT= 7 IREST = 0 GEOM =INPUT
NORMF = 0 NORMP = 0 ITOL = 20 ICUT = 9
INTTYP=BEST GRDTYP=BEST QMTTOL= 1.0E-06

Not sure what is wrong here.

Thanks-Nick

MoS2-vacS2_ver2_water6-atomrem-hole2-VER2.inp.gms.zip