Hey;
Anyone know how to control the xc functional used in the scf calculation?I
cant find the variable in the input to adjust this.And where are the file in
the source code that describe different functionals,we want to change pbe to
pbesol if possible.
Thank you!
Y Fang
-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: application/ms-tnef
Size: 2346 bytes
Desc: not available
Url :
http://www.democritos.it/pipermail/pw_forum/attachments/20100310/6245011c/attachment.bin
