Thanks a lot Sir.
Vasilii Artyukhov <[EMAIL PROTECTED]> wrote: You're using a pseudopotential
that only has angular projectors included for s and p symmetry, while your
basis set is set to contain polarization functions, which means d functions as
well. To overcome this, you should set nonzero populations in the pseudo
generation input file for the corresponding angular channels. It is anyway a
good practice to have all angular channels in the pseudopotential.
2007/7/4, vikas thakur <[EMAIL PROTECTED]>: Dear users,
Please try to find some time for my problem. I am a new user of siesta. I
successfuly installed and tested siesta for h20 and fe. Now i try to make
calculations for graphene. For this i calculate Pseudopotential for C and write
a input file for graphene. I put the C.psf and C.fdf in same directory and
give the command
siesta < C.fdf | tee C.out
it reads the input file but do not continue the calculation , it terminates at
end as follow
read_vps: ERROR: You must generate a pseudopotential
read_vps: ERROR: for each L up to 3
Stopping Program from Node: 0
Abort
[EMAIL PROTECTED] ~/C]#
Thanks in advance.
Vikas Thakur
---------------------------------
Sick sense of humor? Visit Yahoo! TV's Comedy with an Edge to see what's on,
when.
---------------------------------
Need Mail bonding?
Go to the Yahoo! Mail Q&A for great tips from Yahoo! Answers users.
