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<p>The error says:</p>
<pre>Fortran runtime error: Bad integer for item 1 in list input</pre>
<p></p>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">So you typed in a floating point number
instead of an integer ....</div>
<div class="moz-cite-prefix"><br>
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<div class="moz-cite-prefix">Am 20.05.2023 um 07:12 schrieb Neetu
Malik:<br>
</div>
<blockquote type="cite"
cite="mid:CAGDW3Ui3XNNasoF7f5rNdY+8UBsspdkWp0o41XCjRt=rFtkx9A@mail.gmail.com">
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<pre>Getting below error
*******************************************
GENERATES STRUCT-FILES AND optimize.job
PLEASE CHOOSE ONE OF THE FOLLOWING FEATURES:
[1] VARY VOLUME with CONSTANT RATIO A:B:C
[2] VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)
[3] VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)
[4] VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)
[5] VARY A and C (2D-case) (tetragonal or hexagonal lattice)
[6] VARY A, B and C (3D-case) (orthorhombic lattice)
[7] VARY A, B, C and Gamma (4D-case) (monoclinic lattice)
[8] VARY C/A RATIO and VOLUME (2D-case) (tetr and hex lattices)
********************************************
***************************************************
Using Sr_initial.struct as template.
***************************************************
number of structures: 15, 81 (3x3x3x3), 256 (4x4x4x4)
You must enter a proper value. Do it again.
number of structures: 15, 81 (3x3x3x3), 256 (4x4x4x4)
At line 124 of file optimize.f (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input
Error termination. Backtrace:
#0 0x14eb1a023ad0 in ???
#1 0x14eb1a024649 in ???
#2 0x14eb1a02527f in ???
#3 0x14eb1a26e8fb in ???
#4 0x14eb1a2718ba in ???
#5 0x14eb1a2725ba in ???
#6 0x55d03c213dd1 in ???
#7 0x55d03c2177a8 in ???
#8 0x55d03c2131de in ???
#9 0x14eb19c29d8f in __libc_start_call_main
at ../sysdeps/nptl/libc_start_call_main.h:58
#10 0x14eb19c29e3f in __libc_start_main_impl
at ../csu/libc-start.c:392
#11 0x55d03c213214 in ???
#12 0xffffffffffffffff in ???
0.068u 0.015s 0:00.08 87.5% 0+0k 0+0io 0pf+0w
error: command /home/neetu/Desktop/wien/optimize optimize.def failed
</pre>
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<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sat, 20 May 2023 at 10:39,
Neetu Malik <<a href="mailto:9015neetu@gmail.com"
moz-do-not-send="true" class="moz-txt-link-freetext">9015neetu@gmail.com</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div>Dear Team, Please guide me how to optimise volume for
monoclinic structure. I have selected option 7 in
xoptimise. Please guide how many structures should i
specify.</div>
<div>Thankyou<br>
</div>
</div>
</blockquote>
</div>
<br>
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</pre>
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