RE: Bond lengths calculation by Fullprof

2001-08-07 Thread Yokochi, Alexandre
Armel, Irini, and all, The option to do bond length calculations and BVS calculations, etc, is not explicitly given in the HTML fullprof manual. It is, however, described in the appendix included with the more recent releases of Fullprof (you know, the big ol pdf file called something li

Re: Bond lengths calculation by Fullprof

2001-08-07 Thread Armel Le Bail
>For those who use fullprof could someone tell me how to generate the bond lengths >and angles with their esd' s by fullprof? I have already tried to do what is reffered >to an old mail at reitveld list regarding the generation of the bond lenths. >According to this mail this is possible by s

Re: Bond lengths calculation by Fullprof

2001-08-07 Thread "Magnus H. Sørby"
Irini, You probably need to add a new line after the line containing JDIST. It should contain 3 parameters: The maximum distance between atoms to be output (a real number) The maximum distance between atoms to output the angle between them (a real number) A string to tell whether Bond Angle Calcu

Bond lengths calculation by Fullprof

2001-08-07 Thread Mastoraki Eirini
Dear all,   For those who use fullprof  could someone tell me how to generate the bond lengths and angles with their esd' s by fullprof? I have already tried to do what is reffered to an old mail at reitveld list regarding the generation of the bond lenths. According to this mail this is p