<br><br>
<div class="gmail_quote"><br><br>
<div><span style="FONT-SIZE: 13px; FONT-FAMILY: arial, sans-serif; BACKGROUND-COLOR: rgb(255,255,255)"> I am running wien2k version 10.1 on a machine of type Dell-Inspiron with<br>operating system suse 10.2.<br><br>- The purpose of my calculations is to get elastic constants for the cubic compound super cell .<br>
<br>- I am running in this case Rh3Ti doped with Nb, using this input, </span></div>
<p><span style="FONT-SIZE: 13px; FONT-FAMILY: arial, sans-serif; BACKGROUND-COLOR: rgb(255,255,255)"></span> <b>Input</b></p>
<p> </p>
<p>Rh3Ti</p>
<p>P<span> </span>LATTICE,NONEQUIV.ATOMS:<span> </span>6221_Pm-3m</p>
<p>MODE OF CALC=RELA unit=bohr</p>
<p><span> </span>14.557900 14.557900 14.557900 90.000000 90.000000 90.000000</p>
<p>ATOM<span> </span>-1: X=0.00000000 Y=0.25000000 Z=0.25000000</p>
<p><span> </span>MULT=12<span> </span>ISPLIT= 8</p>
<p>ATOM<span> </span>-1:X= 0.00000000 Y=0.75000000 Z=0.75000000</p>
<p>Rh1<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 45.0</p>
<p>LOCAL ROT MATRIX:<span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>-0.7071068 0.0000000 0.7071068</p>
<p><span> </span>0.7071068 0.0000000 0.7071068</p>
<p>ATOM<span> </span>-2: X=0.50000000 Y=0.25000000 Z=0.25000000</p>
<p><span> </span>MULT=12<span> </span>ISPLIT= 8</p>
<p>ATOM<span> </span>-2:X= 0.50000000 Y=0.75000000 Z=0.75000000</p>
<p><span> </span><span> </span>2,1<span> </span>Top</p>
<p>Rh2<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 45.0</p>
<p>LOCAL ROT MATRIX:<span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>-0.7071068 0.0000000 0.7071068</p>
<p><span> </span>0.7071068 0.0000000 0.7071068</p>
<p>ATOM<span> </span>3: X=0.00000000 Y=0.00000000 Z=0.00000000</p>
<p><span> </span>MULT= 1<span> </span>ISPLIT= 2</p>
<p>Nb3<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 41.0</p>
<p>LOCAL ROT MATRIX:<span> </span>1.0000000 0.0000000 0.0000000</p>
<p><span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>0.0000000 0.0000000 1.0000000</p>
<p>ATOM<span> </span>-4: X=0.50000000 Y=0.00000000 Z=0.00000000</p>
<p><span> </span>MULT= 3<span> </span>ISPLIT= 2</p>
<p>ATOM<span> </span>-4:X= 0.00000000 Y=0.50000000 Z=0.00000000</p>
<p>ATOM<span> </span>-4:X= 0.00000000 Y=0.00000000 Z=0.50000000</p>
<p>Ti4<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 22.0</p>
<p>LOCAL ROT MATRIX:<span> </span>0.0000000 0.0000000 1.0000000</p>
<p><span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>-1.0000000 0.0000000 0.0000000</p>
<p>ATOM<span> </span>-5: X=0.50000000 Y=0.50000000 Z=0.00000000</p>
<p><span> </span>MULT= 3<span> </span>ISPLIT= 2</p>
<p>ATOM<span> </span>-5:X= 0.00000000 Y=0.50000000 Z=0.50000000</p>
<p>ATOM<span> </span>-5:X= 0.50000000 Y=0.00000000 Z=0.50000000</p>
<p>Ti5<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 22.0</p>
<p>LOCAL ROT MATRIX:<span> </span>1.0000000 0.0000000 0.0000000</p>
<p><span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>0.0000000 0.0000000 1.0000000</p>
<p>ATOM<span> </span>6: X=0.50000000 Y=0.50000000 Z=0.50000000</p>
<p><span> </span>MULT= 1<span> </span>ISPLIT= 2</p>
<p><span> </span><span> </span>62,1<span> </span>13%</p>
<p>MULT= 1<span> </span>ISPLIT= 2</p>
<p>Ti6<span> </span>NPT=<span> </span>781<span> </span>R0=0.00010000 RMT=<span> </span>2.4600<span> </span>Z: 22.0</p>
<p>LOCAL ROT MATRIX:<span> </span>1.0000000 0.0000000 0.0000000</p>
<p><span> </span>0.0000000 1.0000000 0.0000000</p>
<p><span> </span>0.0000000 0.0000000 1.0000000</p>
<p> </p>
<p>and <b>Rmt x Kmax=7</b> </p>
<div><span style="FONT-SIZE: 13px; FONT-FAMILY: arial, sans-serif; BACKGROUND-COLOR: rgb(255,255,255)"></span></div>
<div><span style="FONT-SIZE: 13px; FONT-FAMILY: arial, sans-serif; BACKGROUND-COLOR: rgb(255,255,255)"> </span></div>
<div><br>... This is no error shown in STDOUT during eos.job and rhomb.job and tetra.job.<b>But in rhomb.job,after the program got over finally it displayed the line "want to display all 3580 files"Y or N<br>
</b><br>- 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,</div>
<div><br>
<p><b>Output;</b></p>
<p> </p>
<p>eos_<span> </span></p>
<p>tetra_<span> </span><span> </span></p>
<p>rhomb_<span> </span></p>
<p><span> </span>Error in anaelast<span> </span><span> </span></p>
<p> </p>
<p>**********************************</p>
<p>******** Plotting results ********</p>
<p>**********************************</p>
<p> </p>
<p>press RETURN to continue</p>
<p>"tempor", line 4: warning: Skipping unreadable file "eos.strain"</p>
<p>"tempor", line 4: warning: Skipping unreadable file "eos.fit"<span> </span></p>
<p>"tempor", line 4: No data in plot<span> </span></p>
<p> </p>
<p>Do you want a hardcopy? (y/N)y</p>
<p>Specify a filename (default is <a href="http://eos.ps/" target="_blank">eos.ps</a>)</p>
<p>Printing hardcopy<span> </span></p>
<p>"temporp", line 6: warning: Skipping unreadable file "eos.strain"</p>
<p>"temporp", line 6: warning: Skipping unreadable file "eos.fit"</p>
<p>"temporp", line 6: No data in plot</p>
<p> </p>
<p>press RETURN to continue</p>
<p>"tempor", line 4: warning: Skipping unreadable file "tetra.strain"</p>
<p>"tempor", line 4: warning: Skipping unreadable file "tetra.fit"</p>
<p>"tempor", line 4: No data in plot</p>
<p> </p>
<p>Do you want a hardcopy? (y/N)y</p>
<p>Specify a filename (default is <a href="http://tetra.ps/" target="_blank">tetra.ps</a>)</p>
<p>Printing hardcopy</p>
<p>"temporp", line 6: warning: Skipping unreadable file "tetra.strain"</p>
<p>"temporp", line 6: warning: Skipping unreadable file "tetra.fit"</p>
<p>"temporp", line 6: No data in plot</p>
<p> </p>
<p>press RETURN to continue</p>
<p>"tempor", line 4: warning: Skipping unreadable file "rhomb.strain"</p>
<p>"tempor", line 4: warning: Skipping unreadable file "rhomb.fit"</p>
<p>"tempor", line 4: No data in plot</p>
<p> </p>
<p>Do you want a hardcopy? (y/N)y</p>
<p>Specify a filename (default is <a href="http://rhomb.ps/" target="_blank">rhomb.ps</a>)</p>
<p>Printing hardcopy</p>
<p>"temporp", line 6: warning: Skipping unreadable file "rhomb.strain"</p>
<p>"temporp", line 6: warning: Skipping unreadable file "rhomb.fit"</p>
<p>"temporp", line 6: No data in plot</p>
<p> </p>
<p>mv: No match.</p>
<p>mv: No match.</p>
<p>mv: No match.</p>
<p>Have a good day...</p>
<p> </p>- Yes, I have browsed the archives AND READ THE USERS GUIDE and the<br>FAQ pages Peter provides, but I couldn't solve my problem that way.</div>
<div>Please clarify my doubt,and give the solution to link all output files in the outputs directory.</div>
<div><br>Thank you.</div></div><br>