Dear SIESTA users
Hello

I am trying to run a test calculation for VDW XC functional in siesta-trunk but I am getting the following error:

1610022975: DEALLOCATE: memory at 0x41b7530629f23c7d not allocated

for usinf VDW I only changed these lines:
XC.functional           VDW
XC.authors              DRSLL

I would appreciate your help.

Regards
Javad

P.S: I have compiled the siesta-trunk with mpif90 and no optimization and it works properly for my routine calculations (no VDW).

Responder a