On Fri, Apr 3, 2009 at 7:43 PM, S. K. S. <sks.jnc at gmail.com> wrote:
> Dear Users, > > I have a couple of questions regarding Xcrysden. > 1. Usually xcrysden files use the following format: > > PRIMVEC > 5.5246078800 0.0000000000 0.0000000000 > 0.0000000000 3.9064878040 0.0000000000 > 0.0000000000 0.0000000000 19.5324384880 > PRIMCOORD > 14 1 > 31 0.3031580950 0.0000000000 -0.3114762280 > 31 2.6436116560 1.9532436370 -1.8580462820 > 31 -0.0518106620 0.0000000000 -3.8817233780 > 31 2.7623039400 1.9532436370 -5.8597314410 > 31 0.0000000000 0.0000000000 -7.8129756070 > 31 2.7623039400 1.9532436370 -9.7662192440 > 33 1.4763662580 1.9532436370 0.3364242780 > > where atomic positions are not written in crystal co-ordinates. > Is it possible to specify atomic positions in crystal co-ordinates in any > of .xyz or .xsf xcrysden input files (except .pwi or .pwo files). > Yes, you can, please have a look at the format of XSF file. > > 2. How to print the thermometer in Xcrysden??? > Everytime I get an error saying "could not execute /usr/bin/convert". > You should install GIMP, a GNU image processor. > > I'll be highly obliged if anyone kindly discuss the above issues. > regards, > SKS > JNCASR > Bangalore > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090403/bccfe097/attachment.htm
