Slawomir Janicki
slawomir.janicki@comcast.net
All the best,
Slawomir
On Thu Nov 28 '13 3:37pm, Alex Granovsky wrote
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>Hi,
>the type of this variable was recently changed to integer.
>Valid values to try are 0, 1, and 2. Zero means no SODIIS,
>while 1 and 2 selects a bit different implementations of SODIIS.
>I'm sorry for this error in documentation.
>It will be fixed in the next documentation release.
>All the best,
>Alex
>
>
>On Thu Nov 28 '13 3:34am, Slawomir Janicki wrote
>------------------------------------------------
>>Hi,
>>I get an error when I try to use the line:
>> $SCF SODIIS=.T. $END
>>Relevant lines from the log file:
>> ILLEGAL NAMELIST DATA FIELD
>> **** ERROR READING INPUT GROUP $SCF *****
>> THE PROBLEM IS WITH THIS CARD, BEFORE OR NEAR THE $ POINTER
>> $SCF SODIIS=.T. $END
>> $
>> LEGAL KEYWORDS FOR THIS GROUP ARE:
>> NCONV NPUNCH NCO NSETO DMPCUT NPAIR
>> NO CICOEF F ALPHA BETA DIIS
>> ETHRSH MAXDII EXTRAP DAMP SHIFT RSTRCT
>> COUPLE UHFNOS MVOQ DEM DEMCUT DIRSCF
>> FDIFF VTSCAL VTCONV MAXVT SCALF SOSCF
>> SOGTOL JKMAT XFDIFF XFDNR FSHIFT FDCTRL
>> DIIMOD SOGTHR DIITHR ENGTHR SODIIS DIIERR
>> DIITOL FSTDII DIONCE DENTOL
>> ERROR IN $SCF INPUT - STOP
>>It looks like SODIIS is a legitimate keyword but it is not recognized by Firefly.
>>I know that it is experimental etc., but I just couldn't resist using it :).
>>The input file is attached.
>>Slawomir
>>