[Wien] Reg: AFM calculations

[Peram sreenivasa reddy]

Dear Wien2K,

                I am trying to do AFM calculations. I followed the user
guide to set the AFM calculations. I got some error. Here i am giving the
step by step information.

1. first i run init_lapw up to lstart in magnetic case. After that i copied
my case.struct to case.struct_supergroup.

2. I again run init_lapw in the same magnetic case like bellow.

-----> do you want to perform an antiferromagnetic calculation ? (N/y)
y
I hope you have        flipped the spin of the AF-atom
                       made zero spin for non-magnetic atoms
in case.inst
-----> do you want to continue or edit case.inst ? (c/e)
c
>   afminput    (12:03:08)  case.struct_supergroup present
 The super and subgroups are KLASSENGLEICH
 You must specify a translation vector which transforms the
 spin-up into the spin-dn atom (e.g.: 0.5,0.5,0.5 for AFM bcc Cr)!
0.5 0.5 0.5
0.0u 0.0s 3:03.38 0.0% 0+0k 2064+96io 6pf+0w
You can now use     runafm_lapw   for scf
BUT  PLEASE  NOTE:  AFMINPUT and CLMCOPY  are NOT WELL TESTED
You must test your results with an unconstraint  runsp_lapw  afterwards
and recheck the rules generated by afminput
init_lapw finished ok

3. After this i run "runafm_lapw -ec 0.000001". But i got the bellow error.

xxxxxx at xxxxx:~/xxxxx/yyyyy/xxxx/xxx$ runafm_lapw
hup: Command not found.
struct_afm_check END
 LAPW0 END
 LAPW1 END
vec2old_lapw: Command not found.
 LAPW2 END
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 17, file
/home//xxxxx/yyyyy/xxxx/xxx/fort.17
Image              PC                Routine            Line
Source
clmcopy            00000000004990BD  Unknown               Unknown  Unknown
clmcopy            0000000000497BC5  Unknown               Unknown  Unknown
clmcopy            00000000004496B0  Unknown               Unknown  Unknown
clmcopy            00000000004111AA  Unknown               Unknown  Unknown
clmcopy            00000000004109A0  Unknown               Unknown  Unknown
clmcopy            0000000000429F73  Unknown               Unknown  Unknown
clmcopy            0000000000404E5B  MAIN__                    114
clmcopy.f
clmcopy            00000000004035EC  Unknown               Unknown  Unknown
libc.so.6          00002ABB294A976D  Unknown               Unknown  Unknown
clmcopy            00000000004034E9  Unknown               Unknown  Unknown

>   stop error

May i know how to resolve it..

Thank you very much in advance....




-- 
*SREENIVASA REDDY*

*Research Scholar*
*Indian Institute of Technology*
*Hyderabad*
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