[Pw_forum] problem in lderiv curves for Sr pseuopotentials

karan deep karandeepster at gmail.com
Mon Aug 29 17:19:14 CEST 2011


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://lists.quantum-espresso.org/pipermail/users/attachments/20110829/c7f8d0e9/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: sr-ps.in
Type: application/octet-stream
Size: 947 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110829/c7f8d0e9/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: gnuplot.ps
Type: application/postscript
Size: 145148 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110829/c7f8d0e9/attachment.ps>


More information about the users mailing list