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<p>The "Fortran runtime error: Bad integer for item 2 in list input"
is likely because in TiC.in1 file the program cannot find a
integer that it is looking for. For example, it might be needing
to read an integer (8), but maybe a float value (8.0) got
accidentally put there instead. If you need further help, you
would have to share the TiC.in1 file that is causing the error.<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/7/2022 6:50 AM, AJAY SINGH VERMA
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:OSZP286MB101368BFC5943214F00773CFE2419@OSZP286MB1013.JPNP286.PROD.OUTLOOK.COM">
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<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Dear All,</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
After applying patch as suggested by Sir Gavin Abo, now I am
getting this underlined error</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
##########################################
<div>Start for AUTO intialization Styp3_-2.0 </div>
<div>##########################################</div>
<div> 2 Atoms found: with labels Ti1 C 1 </div>
<div>generate atomic configuration for atom 1 : Ti1</div>
<div>generate atomic configuration for atom 2 : C 1</div>
<div><u>SET: Command not found.</u></div>
<div> next is setrmt </div>
<div> specify nn-bondlength factor: (usually=2) [and optionally
dlimit, dstmax (about 1.d-5, 20)]</div>
<div> DSTMAX: 20.000000000000000 </div>
<div> iix,iiy,iiz 5 5 5
28.337880000000002 29.494530000000001
40.910055000000000
</div>
<div> NAMED ATOM: Ti1 Z changed to IATNR+1000 to determine
equivalency</div>
<div> NAMED ATOM: C 1 Z changed to IATNR+1000 to determine
equivalency</div>
<div><br>
</div>
<div> ATOM 1 Ti1 ATOM 2 C 1 </div>
<div> RMT( 1)=2.12000 AND RMT( 2)=1.74000</div>
<div> SUMS TO 3.86000 LT. NN-DIST= 4.09019</div>
<div><br>
</div>
<div> ATOM 2 C 1 ATOM 1 Ti1 </div>
<div> RMT( 2)=1.74000 AND RMT( 1)=2.12000</div>
<div> SUMS TO 3.86000 LT. NN-DIST= 4.09019</div>
<div>STOP NN ENDS</div>
<div>0.001u 0.000s 0:00.00 0.0% 0+0k 0+40io 0pf+0w</div>
<div>atom Z RMT-max RMT </div>
<div> 1 22.0 2.12 2.12 </div>
<div> 2 6.0 1.74 1.74 </div>
<div>file TiC.struct_setrmt generated </div>
<div> next is nn </div>
<div> specify nn-bondlength factor: (usually=2) [and optionally
dlimit, dstmax (about 1.d-5, 20)]</div>
<div> DSTMAX: 20.000000000000000 </div>
<div> iix,iiy,iiz 5 5 5
28.337880000000002 29.494530000000001
40.910055000000000
</div>
<div> NAMED ATOM: Ti1 Z changed to IATNR+1000 to determine
equivalency</div>
<div> NAMED ATOM: C 1 Z changed to IATNR+1000 to determine
equivalency</div>
<div><br>
</div>
<div> ATOM 1 Ti1 ATOM 2 C 1 </div>
<div> RMT( 1)=2.12000 AND RMT( 2)=1.74000</div>
<div> SUMS TO 3.86000 LT. NN-DIST= 4.09019</div>
<div><br>
</div>
<div> ATOM 2 C 1 ATOM 1 Ti1 </div>
<div> RMT( 2)=1.74000 AND RMT( 1)=2.12000</div>
<div> SUMS TO 3.86000 LT. NN-DIST= 4.09019</div>
<div>STOP NN ENDS</div>
<div>0.002u 0.000s 0:00.00 0.0% 0+0k 0+16io 0pf+0w</div>
<div> next is sgroup </div>
<div>> sgroup (18:16:55) 0.000u 0.000s 0:00.00
0.0% 0+0k 0+8io 0pf+0w</div>
<div> Names of point group: mmm 2/m 2/m 2/m D2h</div>
<div> Names of point group: mmm 2/m 2/m 2/m D2h</div>
<div>Number and name of space group: 71 (I m m m)</div>
<div> next is symmery </div>
<div>> symmetry (18:16:55) SPACE GROUP CONTAINS
INVERSION</div>
<div>0.000u 0.001s 0:00.00 0.0% 0+0k 0+32io 0pf+0w</div>
<div> next is lstart </div>
<div> SELECT XCPOT:</div>
<div> recommended: PBE [(13) GGA of Perdew-Burke-Ernzerhof
96]</div>
<div> LDA [( 5)]</div>
<div> WC [(11) GGA of Wu-Cohen 2006]</div>
<div> PBESOL [(19) GGA of Perdew etal. 2008]</div>
<div> SELECT ENERGY to separate core and valence states:</div>
<div> recommended: -6.0 Ry (check how much core charge leaks
out of MT-sphere)</div>
<div> ALTERNATIVELY: specify charge localization (between 0.97
and 1.0) to select core state</div>
<div>STOP LSTART ENDS</div>
<div>> inputfiles prepared (18:16:55) </div>
<div> inputfiles prepared </div>
<div> next is kgen </div>
<div> NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3
divisions of G)</div>
<div> length of reciprocal lattice vectors: 1.313 1.349
1.537 13.563 13.930 15.879</div>
<div> Shift of k-mesh allowed. Do you want to shift: (0=no,
1=shift)</div>
<div> 427 k-points generated, ndiv= 14
14 14</div>
<div>STOP KGEN ENDS</div>
<div> next is dstart </div>
<div>> dstart -p (18:16:55) starting parallel dstart at
Wednesday 07 September 2022 06:16:55 PM IST</div>
<div>-------- .machine0 : processors</div>
<div>running dstart in single mode</div>
<div>STOP DSTART ENDS</div>
<div>0.957u 0.227s 0:00.24 487.5% 0+0k 0+800io 0pf+0w</div>
<div><br>
</div>
<div>-----> new TiC.in0 generated</div>
<div> init_lapw finished ok </div>
<div>starting parallel dstart at Wednesday 07 September 2022
06:16:56 PM IST</div>
<div>-------- .machine0 : processors</div>
<div>running dstart in single mode</div>
<div>STOP DSTART ENDS</div>
<div>0.935u 0.247s 0:00.23 508.6% 0+0k 0+704io 0pf+0w</div>
<div>0.021u 0.000s 0:00.02 100.0% 0+0k 0+688io 0pf+0w</div>
<div>clmextrapol_lapw has generated a new TiC.clmsum</div>
<div>STOP LAPW0 END</div>
<div>At line 393 of file inilpw.f (unit = 5, file = 'TiC.in1')</div>
<div><u>Fortran runtime error: Bad integer for item 2 in list
input</u></div>
<div><br>
</div>
<div>Error termination. Backtrace:</div>
<div>#0 0x145928ddfae0 in ???</div>
<div>#1 0x145928de0659 in ???</div>
<div>#2 0x145928de128f in ???</div>
<div>#3 0x14592902b3fb in ???</div>
<div>#4 0x14592902e3ba in ???</div>
<div>#5 0x14592902f0ba in ???</div>
<div>#6 0x55749c178436 in ???</div>
<div>#7 0x55749c17bd0b in ???</div>
<div>#8 0x55749c14f83e in ???</div>
<div>#9 0x14592898dd8f in __libc_start_call_main</div>
<div> at ../sysdeps/nptl/libc_start_call_main.h:58</div>
<div>#10 0x14592898de3f in __libc_start_main_impl</div>
<div> at ../csu/libc-start.c:392</div>
<div>#11 0x55749c14f864 in ???</div>
<div>#12 0xffffffffffffffff in ???</div>
<div><u>grep: lapw2*.error: No such file or directory</u></div>
<div><br>
</div>
<div><u>> stop error</u></div>
<div>-----------------------------------------------------</div>
<div> </div>
<div><u>ERROR status in Styp3_-2.0</u></div>
</div>
</blockquote>
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