[SIESTA-L] ParrinelloRahman

Mon, 16 May 2011 08:11:05 -0700 

Hi, every one, there is something wrong with my MD.TypeOfRun          
ParrinelloRahman . I cannot find the reason.
iodm: Reading Density Matrix from files
chkdim: ERROR: In iodm, dimension nbasis =     864. It must be exactly      164
Stopping Program from Node:    0
p0_32525:  p4_error: : 1

Responder a