Hello, your problem seems to be related to the reading of the RHO-file. Indeed, nspin=192 is reported by rho2xsf! Are you sure that you have used the same compiler and compilation option both for siesta and rho2xsf....
Simon > Dear Simon, > > When i try to convert C.RHO file to C.xsf i got this type of message. Is > there any errror in this > > [EMAIL PROTECTED] 30]# /root/Latest/rho2xsf > Specify SystemLabel (or 'siesta' if none): C > Now define the grid cell for your XCrysDen plot. > Note that it can be arbitrarily chosen with respect to the Siesta > simulation cell, and it needs not to be orthogonal. We'll define it by the origin point and three spanning vectors. They can be given in Bohr or Ang. > Would you use Bohr (B) or Ang (A) ? A > Enter origin point in Ang : -3 -3 0 > Enter 1st spanning vector in Ang : 6 0 0 > Enter 2nd spanning vector in Ang : 0 6 0 > Enter 3rd spanning vector in Ang : 0 0 6 > The box contains 18 atoms. > Now define the grid. If you want it two-dimensional, > give 1 as number of grid points along one spanning vector. > Enter number of grid points along three vectors: 50 50 50 > Add grid property (LDOS, RHO, ...; or BYE if none): RHO > Found and opened: C.RHO > mesh0 = ( 0 16 0 ), nspin= 192 > forrtl: severe (71): integer divide by zero > Image PC Routine Line Source rho2xsf 0804CBDA Unknown Unknown Unknown > rho2xsf 0804B5F3 Unknown Unknown Unknown > rho2xsf 080493FA Unknown Unknown Unknown > libc.so.6 009E7DE3 Unknown Unknown Unknown > rho2xsf 08049331 Unknown Unknown Unknown > [EMAIL PROTECTED] 30]# > > I got C.xsf file which i have send by attachment in previous mail. And after this when i try to view this C.xsf file with xcrysden it give > me error > ERROR: ERROR: An Error occured, while reading XSF file > /root/xcrys_temp/xc_5998/C.XSF.raw > > Where is the error. Is there any wrong with the information io give to > convert rho to xsf? > > > > Thanks. > Vikas Thakur. > > > > > vikas thakur <[EMAIL PROTECTED]> wrote: > Dear Simon, > > I am sending my C.xsf file by attachment please check it > > Thanking you. Good Luck > > Vikas Thakur > > Simon Dubois <[EMAIL PROTECTED]> wrote: > Dear Vikas, > > If the .xsf file is not too big, you may send it and it will probably be possible to see what is wrong with it.... > > Simon > >> Dear Zubaer, >> I have installed xcrysden in linux machine so dont have any idea in windows. But when i was installing it, it gives me lots of errors and i was not able to install it. Then i choose pre compiled version with all library include which are needed by xcrysden and installed it >> successfully.It works nice. I think u can install a pre compiled version. Hope it will work. >> About compiling f files in SIESTA/Util/Contrib/APostnikov/*.f >> .............. i do not get any error. But rho2xsf conversion is not going properly. it is prepairing file *.xsf but when i try to view it using xcrysden it gives error in .xsf file. So somthing is wrong somewhere. If i get any information and success regarding this i will convay it to you. >> If any one can help me to troubleshoot this problem. >> Thanking you. >> Good luck. >> Vikas Thakur >> zubaer wrote: >> Hi Vikas, >> Did you have any experience in installing XCrysDen in windows machine. I >> tried to follow the steps as suggested, but seems its not working properly. I could not compile ./xcConfigure. Also, did you find any problem in compiling f files SIESTA/Util/Contrib/APostnikov/*.f to convert >> rho files to xsf files? When I compile, it shows lots of undefined variables! >> I would appreciate any help. >> Thanks, >> Zubaer >> On Nov 7, 2007 12:58 AM, vikas thakur wrote: >> Please the attachement. some notes on siesta visualization. >> Vikas Thakur >> vikas thakur wrote: >> Dear Ian, >> xcrysden can do it. You can download it from >> http://www.xcrysden.org/Download.html . >> Good luck. >> Vikas Thakur. >> Ian Shuttleworth wrote: >> Is there any way to visualise the atomic forces? Perhaps a graphics attachment or package that draws the ion cores, then the force vector of >> each atom with the origin at the atom. >> Thanks >> Ian Shuttleworth >> __________________________________________________ >> Do You Yahoo!? >> Tired of spam? Yahoo! Mail has the best spam protection around >> http://mail.yahoo.com >> __________________________________________________ >> Do You Yahoo!? >> Tired of spam? Yahoo! Mail has the best spam protection around >> http://mail.yahoo.com >> __________________________________________________ >> Do You Yahoo!? >> Tired of spam? Yahoo! Mail has the best spam protection around >> http://mail.yahoo.com > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com
