*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 > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120328/02942b7a/attachment.htm>