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<p>Why do you have case.vrespup/dn/sum ??</p>
<p>Do you have a case.inm_vresp file ? This is not recommended
anymore.</p>
<p>What is your XC in case.in0 ?</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 26.06.2023 um 18:04 schrieb shamik
chakrabarti:<br>
</div>
<blockquote type="cite"
cite="mid:CAA+63+o9Q9iHXO=KKq3DyCPQG0G=dc8CVrWn2vh3tH0B1VH=+A@mail.gmail.com">
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<div>Dear Wien2k users,</div>
<div><br>
</div>
<div> I have tried to optimize structural
coordinates of a layered structure by using the command in the
terminal runsp_lapw -nlvdw -fc 1.0 -ec 0.0001 -cc 0.0001 -min.
However an error appear in the first cycle;</div>
<div><br>
</div>
changing nlvdw.in2<br>
changing nlvdw.in2_ls<br>
changing nlvdw.in2_st<br>
changing nlvdw.in2_sy<br>
STOP NLVDW END<br>
At line 809 of file lapw0.F (unit = 29, file = 'nlvdw.vrespup')<br>
Fortran runtime error: End of file<br>
<br>
Error termination. Backtrace:<br>
#0 0x14d488623ad0 in ???<br>
#1 0x14d488624649 in ???<br>
#2 0x14d48862527f in ???<br>
#3 0x14d4888784ab in ???<br>
#4 0x14d4888796f4 in ???<br>
#5 0x14d488879bac in ???<br>
#6 0x14d48887bc27 in ???<br>
#7 0x55604a62a19b in ???<br>
#8 0x55604a5c806e in ???<br>
#9 0x14d488229d8f in __libc_start_call_main<br>
at ../sysdeps/nptl/libc_start_call_main.h:58<br>
#10 0x14d488229e3f in __libc_start_main_impl<br>
at ../csu/libc-start.c:392<br>
#11 0x55604a5c80f4 in ???<br>
#12 0xffffffffffffffff in ???<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
grep: No match.<br>
<br>
> stop error<br>
<div><br>
</div>
<div>Looking for your suggestions. <br>
</div>
<div><br>
</div>
<div>with regards, <br>
</div>
<span class="gmail_signature_prefix">-- </span><br>
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data-smartmail="gmail_signature">
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<div style="font-size:small">Dr. Shamik
Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of
Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
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<br>
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