[Wien] TiC-example SCF error

[Khandmaa TS]

What should I do now?

On Thu, Mar 19, 2015 at 4:25 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> This looks ok now.
>
> On 03/19/2015 09:22 AM, Khandmaa TS wrote:
>
>> TiC
>> F   LATTICE,NONEQUIV.ATOMS:  2
>> MODE OF CALC=RELA unit=ang
>>    8.178738  8.178738  8.178738 90.000000 90.000000 90.000000
>> ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
>>            MULT= 1          ISPLIT= 2
>> Ti         NPT=  781  R0=0.00005000 RMT=    2.1700   Z: 22.0
>> LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
>>                       0.0000000 1.0000000 0.0000000
>>                       0.0000000 0.0000000 1.0000000
>> ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
>>            MULT= 1          ISPLIT= 2
>> C          NPT=  781  R0=0.00010000 RMT=    1.7700   Z:  6.0
>> LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
>>                       0.0000000 1.0000000 0.0000000
>>                       0.0000000 0.0000000 1.0000000
>>    48      NUMBER OF SYMMETRY OPERATIONS
>>
> ...
>
>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150319/17ccc655/attachment.html>