<div dir="auto">Ok Sir, thankyou. Will try doing again. </div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, 8 Aug, 2023, 11:01 pm Peter Blaha, <<a href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p>Probably you only did:</p>
<p>x lapw1 -up -band</p>
<p>but not the -dn command.</p>
<p>lapw2 needs both spins on the same k-mesh.<br>
</p>
<div>Am 08.08.2023 um 18:35 schrieb Neetu
Malik:<br>
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<div>Hello everyone, trying to produce bandstructure but getting
following error, please guide:</div>
<div>Commandline: <b>x lapw2 -band -qtl -up </b><br>
Program input is: <b>""</b>
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<pre>At line 72 of file fermi_tmp_.F (unit = 29, file = 'Sr2FeRuO6.energydn')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE
Error termination. Backtrace:
#0 0x153ad1823ad0 in ???
#1 0x153ad1824649 in ???
#2 0x153ad182527f in ???
#3 0x153ad1a7bc4d in ???
#4 0x561e799d5c44 in ???
#5 0x561e79a01035 in ???
#6 0x561e799a80fe in ???
#7 0x153ad1229d8f in __libc_start_call_main
at ../sysdeps/nptl/libc_start_call_main.h:58
#8 0x153ad1229e3f in __libc_start_main_impl
at ../csu/libc-start.c:392
#9 0x561e799a8184 in ???
#10 0xffffffffffffffff in ???
0.423u 0.530s 0:00.28 339.2% 0+0k 0+184io 0pf+0w
error: command /home/neetu/Desktop/wien/lapw2 uplapw2.def failed
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<pre cols="72">--
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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