Re: [Wien] dstart.error

2020-08-28 Thread Peter Blaha 

I cannot reproduce this error. init -b ...  runs fine.

The struct file you included has no symmetry operation. With this struct 
file, dstart would fail.
However, during initialization the identity is written to the file and 
this one must be used later on.

---

However, this structure is completely ridiculous and Wien2k calculation 
for it would take weeks and would probably need a computer with at least 
1000 cores + memory !!!


Why ?   What counts for cpu time is only partially the number of atoms, 
but the size of the cell. You have 38x38x190 bohr !


You have a vacuum of about 160 bohr !!!  and also the x-y supercell for 
ONE Tl-OH molecule is MUCH too large (they are separated by 40 bohr !!).
In addtion, your distances (some of the O-H) are ridiculous small, 
forcing very small RMTs.
You passivate only one of the SiO2 surfaces by H, but then put the Tl-OH 
on the passivated surface ???


I don't know from where the structure is (except from ASE) ?? but this 
one would be very expensive in WIEN2k (and I'm pretty sure with any code 
this is very hard). Have you ever visualized it ???



Wien2k offers very powerful tools to generate a "good" model of SiO2/Tl-OH.
- Start with the bulk SiO2, relax the volume and positions. Use optimal 
lattice parameters.
- Create the corresponding surface. For simple surfaces use   x 
supercell, for complicated ones use the structeditor (you need octave !) 
- A typical vacuum is 30 bohr, maybe if you later plan to add Tl-OH, use 
40 bohr.
- Decide whether you want to passivate the surface with H and add them 
"manually" for each surface O-atom). In WIEN2k it is usually much more 
efficient to have inversion symmetry, so I would passivate either both 
or none of the surfaces.

- Relax the surface.
- Now decide on the xy-supercell to isolate the Tl-OH molecule. 
Typically, very often even a 2x2 supercell is sufficient. (x supercell)

- Now add the Tl-OH "manually" and relax it.

PS: How to add atoms manually ???
open the structure in xcrysden. Select the site where you want to add 
the atoms. Identify their coordinates using xcrysden (use eg "distances" 
and click on two atoms - select fractional coordinates). With this you 
can easily get a good guess about the coordinates of our "add-atoms".


Adding this atom can be done in w2web (for beginners) or directly 
editing the struct file:
Copy an "atom-block" and paste it at the end. Modify coordinates, name, 
ZZ, and eventually R0.
Don't forget to increase the number of atoms at the top of the struct 
file and to set the number of symm.ops to zero.


Start with a "small" model and fully relax it.
Later on you can check your results by increasing the model (with x 
supercell you can add vacuum, or make another 2x2 supercell and remove 3 
of the Tl-OH molecules to have a smaller coverage.


Best regards
Peter Blaha


---
Betreff:
dstart.error
Von:
"Ilias Miroslav, doc. RNDr., PhD." 
Datum:
28.08.2020, 13:23
An:
"wien@zeus.theochem.tuwien.ac.at" 

Hello,

I prepared this structure (307 atoms)- from xyz via ase,  and it passed 
until dstart , giving:


 'ROTDEF' - no symmetry operation found.
 'ROTDEF' - for jatom, index   1   1 

 'ROTDEF' - atomposition of jatom   0.9979360   0.0003974   0.462 


 'ROTDEF' - atomposition of index   0.9979360   0.0003974   0.462

Any help, please ?

Miro
--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha- 


___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Ghost band error in anatase TiO2

2020-08-28 Thread Peter Blaha 

With such small RMTs it is clear that the structure is wrong.

Am 28.08.2020 um 18:01 schrieb shamik chakrabarti:

Dear Wien2k users,

                           I am obtaining Ghost band error at the first 
cycle during running anatase TiO2 (struct file attached). I have changed 
the Rmt of Ti to a higher value than that obtained from the original 
struct file, however, still not able to eradicate the error.


Looking forward to your suggestion in this regard.

with regards,

--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India

___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html



--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha- 


___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Ghost band error in anatase TiO2

2020-08-28 Thread Laurence Marks 
Your structure is completely wrong -- the Ti-O distance is 1.41073
Angstroms! You probably made a mistake in the cif or positions (I have not
searched this, you can).

On Fri, Aug 28, 2020 at 11:02 AM shamik chakrabarti <
shamik15041...@gmail.com> wrote:

> Dear Wien2k users,
>
>   I am obtaining Ghost band error at the first
> cycle during running anatase TiO2 (struct file attached). I have changed
> the Rmt of Ti to a higher value than that obtained from the original struct
> file, however, still not able to eradicate the error.
>
> Looking forward to your suggestion in this regard.
>
> with regards,
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!FjnlOPIRbKp1WzrxCauaROcj9vXO-FCNUuDQXhv_iKZ_6TywBmffI7mIy0yiZhlHKitwHg$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!FjnlOPIRbKp1WzrxCauaROcj9vXO-FCNUuDQXhv_iKZ_6TywBmffI7mIy0yiZhm6U-jfww$
>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html

[Wien] Ghost band error in anatase TiO2

2020-08-28 Thread shamik chakrabarti 
Dear Wien2k users,

  I am obtaining Ghost band error at the first
cycle during running anatase TiO2 (struct file attached). I have changed
the Rmt of Ti to a higher value than that obtained from the original struct
file, however, still not able to eradicate the error.

Looking forward to your suggestion in this regard.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India


TiO2_anatase.struct
Description: Binary data
___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] omp vs mpi for LAPW1

2020-08-28 Thread karima Physique 
Dear Prof. Blaha;

indeed, with omp_4 I got almost the same time as with omp_12 (and even a
little faster)
for NMATMAX, I took the default 19000 (which I think is  sufficient)

Le jeu. 27 août 2020 à 14:00, Peter Blaha  a
écrit :

> > For omp, I noticed that the calculation takes the 12 threads,
>
> Of course. But this does NOT mean that it runs 12 times faster then with
> one thread. Test the speed (wall time) for 1,2,4,8,12 cores and look at
> your speedup.
>
> > I compiled wien2k with intel cluster (2018) (ifort mpiifort+mkl)
> > The option file is in attachment
>
>
> Do you see 12 lapw1_mpi jobs running simultaneously with nearly 100$ cpu
> in a "top" command ??
>
> What are the actual run times (and you NMAT size)
>
> >
> > Le jeu. 27 août 2020 à 13:11, Peter Blaha  > > a écrit :
> >
> > Clearly, omp_global:12   is NOT efficient for lapw1. The
> > diagonalization
> > does not scale for so many cores.
> >
> > Otherwise it means that your mpi-installation (what are you using ?
> > ifort, gfortran, which mpi, blas, scalapack, elpa, ...) is VERY bad.
> >
> >
> > On 8/27/20 1:44 PM, karima Physique wrote:
> >  > Dear Wien2k users,
> >  >
> >  > A calculation with 38 equivalent atoms (96 inequivalent   ), we
> > found
> >  > that using lapw1 with omp_global is very faster than lapw1_mpi
> >  > machine file 1
> >  > omp_global: 12
> >  > 1: node1
> >  > machine file 2
> >  > 1: node1:12
> >  > Have you any comment on this?
> >  >
> >  > ___
> >  > Wien mailing list
> >  > Wien@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@zeus.theochem.tuwien.ac.at/index.html
> >  >
> >
> > --
> >
> > P.Blaha
> >
>  --
> > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> > Email: bl...@theochem.tuwien.ac.at
> > WIEN2k: http://www.wien2k.at
> > WWW: http://www.imc.tuwien.ac.at/TC_Blaha
> >
>  --
> > ___
> > Wien mailing list
> > Wien@zeus.theochem.tuwien.ac.at  Wien@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@zeus.theochem.tuwien.ac.at/index.html
> >
> >
> > ___
> > Wien mailing list
> > Wien@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@zeus.theochem.tuwien.ac.at/index.html
> >
>
> --
>
>P.Blaha
> --
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
> --
> ___
> Wien mailing list
> Wien@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@zeus.theochem.tuwien.ac.at/index.html
>
___
Wien mailing list
Wien@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@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Error in SCF calculation

2020-08-28 Thread upasana Rani 
Yes Sir, I am using 19.1 version.
Thank you very much !

On Fri, Aug 28, 2020 at 1:21 PM Laurence Marks 
wrote:

> It is not an error, it is an informational (info) message that you can
> safely ignore. It appears that your calculation is working fine. The latest
> version (19.2) won't show this message, you appear to be using an older
> version.
>
> _
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu
>
> On Thu, Aug 27, 2020, 23:38 upasana Rani 
> wrote:
>
>> I have just installed WIEN2K and trying to do  SCF  calculation for TiC.
>>
>> in cycle 15ETEST: .000123255000   CTEST: -.0002173
>> ec cc and fc_conv 0 1 1
>>  MIXER END
>>  CORE  END
>>  LAPW2 END
>> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>>  LAPW1 END
>>  LAPW0 END
>> hup: Command not found.
>> in cycle 14ETEST: .9637   CTEST: .0039575
>> ec cc and fc_conv 1 0 1
>>  MIXER END
>>  CORE  END
>>  LAPW2 END
>> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>>  LAPW1 END
>>  LAPW0 END
>> hup: Command not found.
>> in cycle 13ETEST: .1619   CTEST: .0082294
>> ec cc and fc_conv 1 0 1
>>  MIXER END
>>  CORE  END
>>  LAPW2 END
>> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>>  LAPW1 END
>>  LAPW0 END
>> hup: Command not found.
>> ---
>>
>> The error continues in all cycles.
>>
>> TiC.struct file is as follows---
>> ---
>>
>> TiC
>> F   LATTICE,NONEQUIV.ATOMS:  2
>> MODE OF CALC=RELA unit=ang
>>   8.178738  8.178738  8.178738 90.00 90.00 90.00
>> ATOM   1: X=0. Y=0. Z=0.
>>   MULT= 1  ISPLIT= 2
>> Ti NPT=  781  R0=0.5000 RMT=2.1900   Z: 22.000
>> LOCAL ROT MATRIX:1.000 0.000 0.000
>>  0.000 1.000 0.000
>>  0.000 0.000 1.000
>> ATOM   2: X=0.5000 Y=0.5000 Z=0.5000
>>   MULT= 1  ISPLIT= 2
>> C  NPT=  781  R0=0.0001 RMT=1.7900   Z:  6.000
>> LOCAL ROT MATRIX:1.000 0.000 0.000
>>  0.000 1.000 0.000
>>  0.000 0.000 1.000
>>   48  NUMBER OF SYMMETRY OPERATIONS
>>  1 0 0 0.
>>  0-1 0 0.
>>  0 0-1 0.
>>1
>>  1 0 0 0.
>>  0 0-1 0.
>>  0-1 0 0.
>>2
>> -1 0 0 0.
>>  0-1 0 0.
>>  0 0-1 0.
>>3
>> -1 0 0 0.
>>  0 0-1 0.
>>  0-1 0 0.
>>4
>>  0 1 0 0.
>> -1 0 0 0.
>>  0 0-1 0.
>>5
>>  0 0 1 0.
>> -1 0 0 0.
>>  0-1 0 0.
>>6
>>  0 1 0 0.
>>  1 0 0 0.
>>  0 0-1 0.
>>7
>>  0 0 1 0.
>>  1 0 0 0.
>>  0-1 0 0.
>>8
>>  0 1 0 0.
>>  0 0-1 0.
>> -1 0 0 0.
>>9
>>  0 0 1 0.
>>  0-1 0 0.
>> -1 0 0 0.
>>   10
>>  0 1 0 0.
>>  0 0-1 0.
>>  1 0 0 0.
>>   11
>>  0 0 1 0.
>>  0-1 0 0.
>>  1 0 0 0.
>>   12
>>  0-1 0 0.
>> -1 0 0 0.
>>  0 0-1 0.
>>   13
>>  0-1 0 0.
>>  1 0 0 0.
>>  0 0-1 0.
>>   14
>>  0 0-1 0.
>> -1 0 0 0.
>>  0-1 0 0.
>>   15
>>  0 0-1 0.
>>  1 0 0 0.
>>  0-1 0 0.
>>   16
>>  1 0 0 0.
>>  0 1 0 0.
>>  0 0-1 0.
>>   17
>> -1 0 0 0.
>>  0 1 0 0.
>>  0 0-1 0.
>>   18
>>  1 0 0 0.
>>  0 0 1 0.
>>  0-1 0 0.
>>   19
>> -1 0 0 0.
>>  0 0 1 0.
>>  0-1 0 0.
>>   20
>>  0-1 0 0.
>>  0 0-1 0.
>> -1 0 0 0.
>>   21
>>  0 0-1 0.
>>  0-1 0 0.
>> -1 0 0 0.
>>   22
>>  0-1 0 0.
>>  0 0-1 0.
>>  1 0 0 0.
>>   23
>>  0 0-1 0.
>>  0-1 0 0.
>>  1 0 0 0.
>>   24
>>  0 0 1 0.
>>  0 1 0 0.
>> -1 0 0 0.
>>   25
>>  0 1 0 0.
>>  0 0 1 0.
>> -1 0 0 0.
>>   26
>>  0 0 1 0.
>>  0 1 0 0.
>>  1 0 0 0.
>>   27
>>  0 1 0 0.
>>  0 0 1 0.
>>  1 0 0 0.
>>   28
>>  1 0 0 0.
>>  0 0-1 0.
>>  0 1 0 0.
>>   29
>> -1 0 0 0.
>>  0 0-1 0.
>>  0 1 0 0.
>>   30
>>  1 0 0 0.
>>  0-1 0 0.
>>  0 0 1 0.
>>   31
>> -1 0 0 0.
>>  0-1 0 0.
>>  0 0 1 0.
>>   32
>>  0 0 1 0.
>> -1 0 0 0.
>>  0 1 0 0.
>>   33
>>  0 0 1 0.
>>  1 0 0 0.
>>  0 1 0 0.
>>   34
>>  0 1 0 0.00

Re: [Wien] Error in SCF calculation

2020-08-28 Thread Laurence Marks 
It is not an error, it is an informational (info) message that you can
safely ignore. It appears that your calculation is working fine. The latest
version (19.2) won't show this message, you appear to be using an older
version.

_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Thu, Aug 27, 2020, 23:38 upasana Rani 
wrote:

> I have just installed WIEN2K and trying to do  SCF  calculation for TiC.
>
> in cycle 15ETEST: .000123255000   CTEST: -.0002173
> ec cc and fc_conv 0 1 1
>  MIXER END
>  CORE  END
>  LAPW2 END
> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>  LAPW1 END
>  LAPW0 END
> hup: Command not found.
> in cycle 14ETEST: .9637   CTEST: .0039575
> ec cc and fc_conv 1 0 1
>  MIXER END
>  CORE  END
>  LAPW2 END
> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>  LAPW1 END
>  LAPW0 END
> hup: Command not found.
> in cycle 13ETEST: .1619   CTEST: .0082294
> ec cc and fc_conv 1 0 1
>  MIXER END
>  CORE  END
>  LAPW2 END
> forrtl: info (530): FILE= specifier ignored when STATUS has value SCRATCH
>  LAPW1 END
>  LAPW0 END
> hup: Command not found.
> ---
>
> The error continues in all cycles.
>
> TiC.struct file is as follows---
> ---
>
> TiC
> F   LATTICE,NONEQUIV.ATOMS:  2
> MODE OF CALC=RELA unit=ang
>   8.178738  8.178738  8.178738 90.00 90.00 90.00
> ATOM   1: X=0. Y=0. Z=0.
>   MULT= 1  ISPLIT= 2
> Ti NPT=  781  R0=0.5000 RMT=2.1900   Z: 22.000
> LOCAL ROT MATRIX:1.000 0.000 0.000
>  0.000 1.000 0.000
>  0.000 0.000 1.000
> ATOM   2: X=0.5000 Y=0.5000 Z=0.5000
>   MULT= 1  ISPLIT= 2
> C  NPT=  781  R0=0.0001 RMT=1.7900   Z:  6.000
> LOCAL ROT MATRIX:1.000 0.000 0.000
>  0.000 1.000 0.000
>  0.000 0.000 1.000
>   48  NUMBER OF SYMMETRY OPERATIONS
>  1 0 0 0.
>  0-1 0 0.
>  0 0-1 0.
>1
>  1 0 0 0.
>  0 0-1 0.
>  0-1 0 0.
>2
> -1 0 0 0.
>  0-1 0 0.
>  0 0-1 0.
>3
> -1 0 0 0.
>  0 0-1 0.
>  0-1 0 0.
>4
>  0 1 0 0.
> -1 0 0 0.
>  0 0-1 0.
>5
>  0 0 1 0.
> -1 0 0 0.
>  0-1 0 0.
>6
>  0 1 0 0.
>  1 0 0 0.
>  0 0-1 0.
>7
>  0 0 1 0.
>  1 0 0 0.
>  0-1 0 0.
>8
>  0 1 0 0.
>  0 0-1 0.
> -1 0 0 0.
>9
>  0 0 1 0.
>  0-1 0 0.
> -1 0 0 0.
>   10
>  0 1 0 0.
>  0 0-1 0.
>  1 0 0 0.
>   11
>  0 0 1 0.
>  0-1 0 0.
>  1 0 0 0.
>   12
>  0-1 0 0.
> -1 0 0 0.
>  0 0-1 0.
>   13
>  0-1 0 0.
>  1 0 0 0.
>  0 0-1 0.
>   14
>  0 0-1 0.
> -1 0 0 0.
>  0-1 0 0.
>   15
>  0 0-1 0.
>  1 0 0 0.
>  0-1 0 0.
>   16
>  1 0 0 0.
>  0 1 0 0.
>  0 0-1 0.
>   17
> -1 0 0 0.
>  0 1 0 0.
>  0 0-1 0.
>   18
>  1 0 0 0.
>  0 0 1 0.
>  0-1 0 0.
>   19
> -1 0 0 0.
>  0 0 1 0.
>  0-1 0 0.
>   20
>  0-1 0 0.
>  0 0-1 0.
> -1 0 0 0.
>   21
>  0 0-1 0.
>  0-1 0 0.
> -1 0 0 0.
>   22
>  0-1 0 0.
>  0 0-1 0.
>  1 0 0 0.
>   23
>  0 0-1 0.
>  0-1 0 0.
>  1 0 0 0.
>   24
>  0 0 1 0.
>  0 1 0 0.
> -1 0 0 0.
>   25
>  0 1 0 0.
>  0 0 1 0.
> -1 0 0 0.
>   26
>  0 0 1 0.
>  0 1 0 0.
>  1 0 0 0.
>   27
>  0 1 0 0.
>  0 0 1 0.
>  1 0 0 0.
>   28
>  1 0 0 0.
>  0 0-1 0.
>  0 1 0 0.
>   29
> -1 0 0 0.
>  0 0-1 0.
>  0 1 0 0.
>   30
>  1 0 0 0.
>  0-1 0 0.
>  0 0 1 0.
>   31
> -1 0 0 0.
>  0-1 0 0.
>  0 0 1 0.
>   32
>  0 0 1 0.
> -1 0 0 0.
>  0 1 0 0.
>   33
>  0 0 1 0.
>  1 0 0 0.
>  0 1 0 0.
>   34
>  0 1 0 0.
> -1 0 0 0.
>  0 0 1 0.
>   35
>  0 1 0 0.
>  1 0 0 0.
>  0 0 1 0.
>   36
>  0 0-1 0.
>  0 1 0 0.
> -1 0 0 0.
>   37
>  0-1 0 0.
>  0 0 1 0.
> -1 0 0 0.
>   38
>  0 0-1 0.
>  0 1 0 0.
>  1 0 0 0.00