[Wien] lapw0.def failed

Brik Hamida hmd.brik at gmail.com
Thu Jul 20 23:46:37 CEST 2023


Dear
*) For initialisation :

Init_lapw finished ok !
hmd at hmd-host:~/WIEN2k/MoS2monolayer$ cat *.in0
TOT  XC_PBE     (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN)
NR2V      IFFT      (R2V)
   32   32  300    2.00  1 NCON 9  # min IFFT-parameters, enhancement
factor, iprint, NCON n


*)When I run_lapw  :

1) show dayfile :

Calculating MoS2monolayer in /home/hmd/WIEN2k/MoS2monolayer
on hmd-host with PID 5078
using WIEN2k_23.2 (Release 9/3/2022) in /home/hmd/wien2k23


    start 	(20 جويلية, 2023 CET 10:39:58 م) with lapw0 (40/99 to go)

    cycle 1 	(20 جويلية, 2023 CET 10:39:58 م) 	(40/99 to go)

>   lapw0      	(22:39:58) 0.000u 0.000s 0:00.00 0.0%	0+0k 0+8io 0pf+0w
error: command   /home/hmd/wien2k23/lapw0 lapw0.def   failed

>   stop error

2) show STDOUT:

/home/hmd/wien2k23/lapw0: Command not found.
grep: *scf1*: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw1*.error: No such file or directory
grep: lapw1*.error: No such file or directory

>   stop error

*)Error files :
 No error files .

Thanks
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