[Wien] Vec2old_LAPW

[Laurence Marks]

Since from what you say you are not doing LDA+U or a hybrid, you do
not need the density matrices (dmat) so I believe this is not a
problem and you can ignore it.

If your message is "Vec2old_LAPW  command not found" that is strange,
was it "vec2old_LAPW  command not found". Try doing "which
vec2old_LAPW".

2012/3/28 ahmad gharleghi <ah.gharleghi at gmail.com>:
> 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
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
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-- 
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