Probably you only did:
x lapw1 -up -band
but not theĀ -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 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
--
-----------------------------------------------------------------------
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