Hi, all Thanks for last reply. Now I am wondering, what is the difference between vdw1 and vdw2? In the short name definition, vdw-df=".........+vdw", I guess, it is vdw1 because in the output is shows, Exchange-correlation = SLA+PW+RPB+VDW ( 1 4 4 0 1) But, when I define the input_dft=" SLA+PW+RPB+VDW2", output says "conflict",
Now, Can anyone tell me the difference? Are the 1 and 2 from the two references consequently? Thank you! Rui -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110730/a21531e6/attachment.htm
