Hello all, This could be a silly question, I searched in the forum archive and did not find anything related.
Well, my questions is: which is the format for the file with the atomic coordinates to be imported in PWgui? I tried the following formats without success: (the file name was Si.xyz) -) Si -0.69570 3.71840 3.71840 0 0 0 Si -1.51140 0.69570 1.51140 0 0 0 -) Si -0.69570 3.71840 3.71840 Si -1.51140 0.69570 1.51140 -) Si, -0.69570, 3.71840, 3.71840 0, 0, 0 Si, -1.51140, 0.69570, 1.51140 0, 0, 0 -) Si, -0.69570, 3.71840, 3.71840 Si, -1.51140, 0.69570, 1.51140 Note: I let the nat and ntyp variables with zero and defined before importing the files, too. []'s, Camps ___ Joan Crawford<http://www.brainyquote.com/quotes/authors/j/joan_crawford.html> - "I, Joan Crawford, I believe in the dollar. Everything I earn, I spend." -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090914/f112473c/attachment.htm
