[Wien] error in nlvdw

shamik chakrabarti shamik15041981 at gmail.com
Mon Jun 26 18:04:55 CEST 2023


Dear Wien2k users,

                       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;

changing nlvdw.in2
changing nlvdw.in2_ls
changing nlvdw.in2_st
changing nlvdw.in2_sy
STOP  NLVDW END
At line 809 of file lapw0.F (unit = 29, file = 'nlvdw.vrespup')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x14d488623ad0 in ???
#1  0x14d488624649 in ???
#2  0x14d48862527f in ???
#3  0x14d4888784ab in ???
#4  0x14d4888796f4 in ???
#5  0x14d488879bac in ???
#6  0x14d48887bc27 in ???
#7  0x55604a62a19b in ???
#8  0x55604a5c806e in ???
#9  0x14d488229d8f in __libc_start_call_main
at ../sysdeps/nptl/libc_start_call_main.h:58
#10  0x14d488229e3f in __libc_start_main_impl
at ../csu/libc-start.c:392
#11  0x55604a5c80f4 in ???
#12  0xffffffffffffffff in ???
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.
grep: No match.

>   stop error

Looking for your suggestions.

with regards,
-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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