This is a format overflow in the pdos.f ... i had the same problem here and I've checked that the format controlling this line is I1 instead I2 ... so every time that the program try to write - "somenumber" a format overflow happens.
On Jan 16, 2008 2:48 PM, Alexandre Lebon <[EMAIL PROTECTED]> wrote: > Dear Siesta users, > > I noticed a problem in the output of siesta2.0.1 wrt to siesta1.3 concerning > the .PDOS files > > With version 1.3 > <orbital > index=" 6" > atom_index=" 1" > species="O" > position=" 0.000000 -0.000286 0.000000" > n=" 2" > l=" 1" > m=" -1" PLEASE NOTICE the -1 > z=" 2" > > Result of version 2.0.1 > > <orbital > index="3" > atom_index="1" > species="V" > position=" -1.724220 -0.000021 0.000068" > n="3" > l="1" > m="*" PLEASE NOTICE the * instead of -1 > z="1" > > The * prevents the extraction of the partial density of states. > Could you tell me please which part of the program control the output of > .PDOS to correct it and recompile the code. > > Regards, > > Alexandre >
