[Wien] Problem in Elast output-reg.

[jaya anand]

 I am running wien2k version 10.1 on a machine of type Dell-Inspiron with
operating system suse 10.2.

- The purpose of my calculations is to get elastic constants for the cubic
compound super cell .

- I am running in this case Rh3Ti doped with Nb, using this input,

 *Input*



Rh3Ti

P   LATTICE,NONEQUIV.ATOMS:  6221_Pm-3m

MODE OF CALC=RELA unit=bohr

 14.557900 14.557900 14.557900 90.000000 90.000000 90.000000

ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.25000000

          MULT=12          ISPLIT= 8

ATOM  -1:X= 0.00000000 Y=0.75000000 Z=0.75000000

Rh1        NPT=  781  R0=0.00010000 RMT=    2.4600   Z: 45.0

LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000

                    -0.7071068 0.0000000 0.7071068

                     0.7071068 0.0000000 0.7071068

ATOM  -2: X=0.50000000 Y=0.25000000 Z=0.25000000

          MULT=12          ISPLIT= 8

ATOM  -2:X= 0.50000000 Y=0.75000000 Z=0.75000000



2,1           Top

Rh2        NPT=  781  R0=0.00010000 RMT=    2.4600   Z: 45.0

LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000

                    -0.7071068 0.0000000 0.7071068

                     0.7071068 0.0000000 0.7071068

ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000

          MULT= 1          ISPLIT= 2

Nb3        NPT=  781  R0=0.00010000 RMT=    2.4600   Z: 41.0

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000

                     0.0000000 1.0000000 0.0000000

                     0.0000000 0.0000000 1.0000000

ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.00000000

          MULT= 3          ISPLIT= 2

ATOM  -4:X= 0.00000000 Y=0.50000000 Z=0.00000000

ATOM  -4:X= 0.00000000 Y=0.00000000 Z=0.50000000

Ti4        NPT=  781  R0=0.00010000 RMT=    2.4600   Z: 22.0

LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000

                     0.0000000 1.0000000 0.0000000

                    -1.0000000 0.0000000 0.0000000

ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.00000000

          MULT= 3          ISPLIT= 2

ATOM  -5:X= 0.00000000 Y=0.50000000 Z=0.50000000

ATOM  -5:X= 0.50000000 Y=0.00000000 Z=0.50000000

Ti5        NPT=  781  R0=0.00010000 RMT=    2.4600   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   6: X=0.50000000 Y=0.50000000 Z=0.50000000

          MULT= 1          ISPLIT= 2



62,1
13%

MULT= 1          ISPLIT= 2

Ti6        NPT=  781  R0=0.00010000 RMT=    2.4600   Z: 22.0

LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000

                     0.0000000 1.0000000 0.0000000

                     0.0000000 0.0000000 1.0000000



and *Rmt x Kmax=7*


...  This is no  error shown in STDOUT during eos.job and rhomb.job and
tetra.job.*But in rhomb.job,after the program got over finally it displayed
the line "want to display all 3580 files"Y or N
*
- I have already tried the following things, i entered Y, then it
disappeared.Then the problem arised in the result file.I couldn't link all
the results in oputputs directory after entered ./ana_elas..The program
produces suspicious output here,

*Output;*



eos_


tetra_


rhomb_


 Error in anaelast




**********************************

******** Plotting results ********

**********************************



press RETURN to continue

"tempor", line 4: warning: Skipping unreadable file "eos.strain"

"tempor", line 4: warning: Skipping unreadable file "eos.fit"

"tempor", line 4: No data in plot



Do you want a hardcopy? (y/N)y

Specify a filename (default is eos.ps)

Printing hardcopy

"temporp", line 6: warning: Skipping unreadable file "eos.strain"

"temporp", line 6: warning: Skipping unreadable file "eos.fit"

"temporp", line 6: No data in plot



press RETURN to continue

"tempor", line 4: warning: Skipping unreadable file "tetra.strain"

"tempor", line 4: warning: Skipping unreadable file "tetra.fit"

"tempor", line 4: No data in plot



Do you want a hardcopy? (y/N)y

Specify a filename (default is tetra.ps)

Printing hardcopy

"temporp", line 6: warning: Skipping unreadable file "tetra.strain"

"temporp", line 6: warning: Skipping unreadable file "tetra.fit"

"temporp", line 6: No data in plot



press RETURN to continue

"tempor", line 4: warning: Skipping unreadable file "rhomb.strain"

"tempor", line 4: warning: Skipping unreadable file "rhomb.fit"

"tempor", line 4: No data in plot



Do you want a hardcopy? (y/N)y

Specify a filename (default is rhomb.ps)

Printing hardcopy

"temporp", line 6: warning: Skipping unreadable file "rhomb.strain"

"temporp", line 6: warning: Skipping unreadable file "rhomb.fit"

"temporp", line 6: No data in plot



mv: No match.

mv: No match.

mv: No match.

Have a good day...


- Yes, I have browsed the archives AND READ THE USERS GUIDE and the
FAQ pages Peter provides, but I couldn't solve my problem that way.
Please clarify my doubt,and give the solution to link all output files in
the  outputs directory.

Thank you.
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