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

Reply via email to