i am trying to generate pseudopotentials for LDA in Sr i don't know why logarithmic derivatives are showing extra what u can call them spikes in original wave functions. i am attaching my input as well as ldplot files here
thanks for all reply Karandeep Research Scholar Physics Department, IIT, Delhi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110829/c7f8d0e9/attachment-0001.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: sr-ps.in Type: application/octet-stream Size: 946 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110829/c7f8d0e9/attachment-0001.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: gnuplot.ps Type: application/postscript Size: 145147 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110829/c7f8d0e9/attachment-0001.ps
