Ok Sir, thankyou. Will try doing again. On Tue, 8 Aug, 2023, 11:01 pm Peter Blaha, <peter.bl...@tuwien.ac.at> wrote:
> Probably you only did: > > x lapw1 -up -band > > but not the -dn command. > > lapw2 needs both spins on the same k-mesh. > Am 08.08.2023 um 18:35 schrieb Neetu Malik: > > Hello everyone, trying to produce bandstructure but getting following > error, please guide: > Commandline: *x lapw2 -band -qtl -up * > Program input is: *""* > > 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 > > > > _______________________________________________ > Wien mailing > listw...@zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- > ----------------------------------------------------------------------- > Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-158801165300 > Email: peter.bl...@tuwien.ac.at > WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at > ------------------------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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