[Wien] read_vec_tmp_.F

[Peter Blaha]

It is not strange, but quite simple:

You said, you calculated the scf cycle in parallel. Thus you have
case.vector_1,_2,.... but of course you don't have case.vector (this would 
be the sequential one).

When you calculate the DOS, you need to submit   x lapw2 -qtl -p
otherwise it does not get the parallel vectors.

In w2web make sure that "parallel" is "on" (eventually you need a more 
recent version). 

PS: look for   read_vec.F ! The Makefile converts this temporarely to 
_tmp_
 
> I've got very strange error while I'm trying to calculate
> DOS after I've finished scf cycle (without any errors
> surely) in the k-point parallel mode. Program says that:
> 
> "PGFIO-F-219/unformatted read/unit=10/attempt to
> read/write past end of record. File name =
> ./SrCu2B2O6.vector  unformatted, sequential access
> record = 14  In source file read_vec_tmp_.F, at line
> number 96"
> 
> But there is no read_vec_tmp_.F file in the source
> package of wien2k ! I've tried to calculate DOS in usual mode, but the
> error is stil there.
> 
> Can anybody help me ?
> Thank you in advance.
> 
> Best regards,
> Alex Chestnokov.
> 
> P.S. I'm using wien2k version 05
> 
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> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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