[Wien] Vec2old_LAPW

[ahmad gharleghi]

*Dear Professor Laurence Marks,*
*Thank you so much for reply.*
*I rechecked the file, it is lower case (vec2old_lapw).*
*Also, I checked dayfile, I see the following message in front of "clmcopy":
*
*"clmcopy   case.dmatup not present"*
*Best Regards,*
*Ahmad*
*
*
*
*
On Tue, Mar 27, 2012 at 10:35 PM, Laurence Marks
<L-marks at northwestern.edu>wrote:

> The normal file name is "vec2old_lapw" -- please note the lower case.
> Did your emailer convert to upper case? Do you have an upper-case
> Vec2old_LAPW or a lower case vec2old_lapw? (Unix is case sensitive.)
>
> 2012/3/27 ahmad gharleghi <ah.gharleghi at gmail.com>:
> > Dear Wien2k Developer and users,
> >
> > I am using Wien2k 11., on Ubuntu 10.04 linux.
> > I am trying to draw Band Structure and DOS for CaMnO3 (G-type AFM); I
> chose
> > spinpolarized calculation, and then defined the direction of "spin dn"
> for
> > Mn that I have decided "spin up" before, to have AFM system.
> > Moreover, I  selected GGA, and also copied the continent of case.struct
> to
> > case.struct_supergroup.
> >
> > First, please make me sure about accuracy of my steps, and I will be so
> > thankful if there be any detailed step by step explanation suitable for
> this
> > purpose.
> >
> >
> >
> > Second, at this time, I just tried to go through the calculation, as I
> > mentioned above, the iterations were repeated as following:
> >
> > hup command not found
> >
> > LAPW0  END
> >
> > LAPW1  END
> >
> > Vec2old_LAPW  command not found
> >
> > LAPW2  END
> >
> > Clmcopy  END
> >
> > Core        END
> >
> > Core        END
> >
> > Mixer       END
> >
> > I do not know what the command "Vec2old_LAPW command notnfound means
> here,
> > or what is the problem and its solution?
> > Meanwhile, I checked the $WIENROOT diractory, and I saw the file
> > "Vec2old_LAPW" exist over there!!
> >
> > Thank you so much in advance.
> > Ahmad Gharleghi
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu 1-847-491-3996
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>
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