[Wien] LAPW2 END
Mohamed ouaissa
m.ouaissa at yahoo.fr
Mon Oct 22 21:20:05 CEST 2012
Dear WIEN2k users
That's what i have found in data in files .def and .erros
i have checked dndstart.def and i have found this:
6,'NiFe2O4.outputddn','unknown','formatted',0
13,'NiFe2O4.in0_std','unknown', 'formatted',0
14,'NiFe2O4.in0','old',
'formatted',0
15,'NiFe2O4.in2', 'old', 'formatted',0
17,'NiFe2O4.in1', 'old', 'formatted',0
16,'NiFe2O4.test', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
81,'NiFe2O4.rspdn', 'old', 'formatted',0
51,'NiFe2O4.clmdn', 'unknown','formatted',0
and in dndstart.error i have found nothing
dnlapw1.def i have found this:
4,'NiFe2O4.klist', 'unknown','formatted',0
5,'NiFe2O4.in1', 'old', 'formatted',0
6,'NiFe2O4.output1dn','unknown','formatted',0
10,'./NiFe2O4.vectordn', 'unknown','unformatted',9000
11,'NiFe2O4.energydn', 'unknown','formatted',0
18,'NiFe2O4.vspdn', 'old', 'formatted',0
19,'NiFe2O4.vnsdn', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
21,'NiFe2O4.scf1dn',
'unknown','formatted',0
55,'NiFe2O4.vec', 'unknown','formatted',0
71,'NiFe2O4.nshdn', 'unknown','formatted',0
7,'NiFe2O4.vorbdn' ,'unknown','formatted',0
200,'./NiFe2O4.storeHinvdn', 'replace','unformatted',9000
and dnlapw1:error i have found nothing
and dnlapw2.def i have found this:
2,'NiFe2O4.nshdn', 'unknown','formatted',0
3,'NiFe2O4.in1', 'unknown','formatted',0
4,'NiFe2O4.inso', 'unknown','formatted',0
5,'NiFe2O4.in2', 'old', 'formatted',0
6,'NiFe2O4.output2dn','unknown','formatted',0
7,'NiFe2O4.vorbdn','unknown','formatted',0
8,'NiFe2O4.clmvaldn','unknown','formatted',0
10,'./NiFe2O4.vectordn', 'unknown','unformatted',9000
11,'NiFe2O4.weightdn', 'unknown','formatted',0
13,'NiFe2O4.recprlist', 'unknown','unformatted',9000
14,'NiFe2O4.kgen', 'unknown','formatted',0
15,'NiFe2O4.tmpdn', 'unknown','unformatted',0
16,'NiFe2O4.qtldn',
'unknown','formatted',0
17,'NiFe2O4.weightaverdn','unknown','formatted',0
18,'NiFe2O4.vspdn', 'old', 'formatted',0
19,'NiFe2O4.vnsdn', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
21,'NiFe2O4.scf2dn', 'unknown','formatted',0
22,'NiFe2O4.rotlm', 'unknown', 'formatted',0
23,'NiFe2O4.radwfdn', 'unknown', 'formatted',0
24,'NiFe2O4.almblmdn', 'unknown', 'formatted',0
26,'NiFe2O4.weighdn', 'unknown','unformatted',0
27,'NiFe2O4.weighup', 'unknown','unformatted',0
29,'NiFe2O4.energyup','unknown','formatted',0
30,'NiFe2O4.energydn', 'unknown','formatted',0
32,'NiFe2O4.qdmftdn', 'unknown',
'formatted',0
34,'NiFe2O4.oubwindn', 'unknown', 'formatted',0
231,'NiFe2O4.dmftsym', 'unknown', 'formatted',0
and dnlapw2.error i have found nothing
dnstart.def i have found this:
6,'NiFe2O4.outputd','unknown','formatted',0
13,'NiFe2O4.in0_std','unknown', 'formatted',0
14,'NiFe2O4.in0','old', 'formatted',0
15,'NiFe2O4.in2', 'old', 'formatted',0
17,'NiFe2O4.in1', 'old', 'formatted',0
16,'NiFe2O4.test', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old',
'formatted',0
81,'NiFe2O4.rsp', 'old', 'formatted',0
51,'NiFe2O4.clmsum', 'unknown','formatted',0
and dnstart.error i have found nothing
updstart.def i have found this :
6,'NiFe2O4.outputdup','unknown','formatted',0
13,'NiFe2O4.in0_std','unknown', 'formatted',0
14,'NiFe2O4.in0','old', 'formatted',0
15,'NiFe2O4.in2', 'old', 'formatted',0
17,'NiFe2O4.in1', 'old', 'formatted',0
16,'NiFe2O4.test', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
81,'NiFe2O4.rspup', 'old', 'formatted',0
51,'NiFe2O4.clmup', 'unknown','formatted',0
and updstart.error i have found nothing
uplapw1.def i have found this :
4,'NiFe2O4.klist', 'unknown','formatted',0
5,'NiFe2O4.in1', 'old', 'formatted',0
6,'NiFe2O4.output1up','unknown','formatted',0
10,'./NiFe2O4.vectorup', 'unknown','unformatted',9000
11,'NiFe2O4.energyup', 'unknown','formatted',0
18,'NiFe2O4.vspup', 'old',
'formatted',0
19,'NiFe2O4.vnsup', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
21,'NiFe2O4.scf1up', 'unknown','formatted',0
55,'NiFe2O4.vec', 'unknown','formatted',0
71,'NiFe2O4.nshup', 'unknown','formatted',0
7,'NiFe2O4.vorbup' ,'unknown','formatted',0
200,'./NiFe2O4.storeHinvup', 'replace','unformatted',9000
and uplapw1.error i have found nothing
and uplapw2 i have found this :
2,'NiFe2O4.nshup', 'unknown','formatted',0
3,'NiFe2O4.in1', 'unknown','formatted',0
4,'NiFe2O4.inso', 'unknown','formatted',0
5,'NiFe2O4.in2', 'old', 'formatted',0
6,'NiFe2O4.output2up','unknown','formatted',0
7,'NiFe2O4.vorbup','unknown','formatted',0
8,'NiFe2O4.clmvalup','unknown','formatted',0
10,'./NiFe2O4.vectorup',
'unknown','unformatted',9000
11,'NiFe2O4.weightup', 'unknown','formatted',0
13,'NiFe2O4.recprlist', 'unknown','unformatted',9000
14,'NiFe2O4.kgen', 'unknown','formatted',0
15,'NiFe2O4.tmpup', 'unknown','unformatted',0
16,'NiFe2O4.qtlup', 'unknown','formatted',0
17,'NiFe2O4.weightaverup','unknown','formatted',0
18,'NiFe2O4.vspup', 'old', 'formatted',0
19,'NiFe2O4.vnsup', 'unknown','formatted',0
20,'NiFe2O4.struct', 'old', 'formatted',0
21,'NiFe2O4.scf2up', 'unknown','formatted',0
22,'NiFe2O4.rotlm', 'unknown', 'formatted',0
23,'NiFe2O4.radwfup',
'unknown', 'formatted',0
24,'NiFe2O4.almblmup', 'unknown', 'formatted',0
26,'NiFe2O4.weighup', 'unknown','unformatted',0
27,'NiFe2O4.weighdn', 'unknown','unformatted',0
29,'NiFe2O4.energydn','unknown','formatted',0
30,'NiFe2O4.energyup', 'unknown','formatted',0
32,'NiFe2O4.qdmftup', 'unknown', 'formatted',0
34,'NiFe2O4.oubwinup', 'unknown', 'formatted',0
231,'NiFe2O4.dmftsym', 'unknown', 'formatted',0
and uplapw2.error i have found nothing inside
Hope this can help me
Thanks in advance for your response and looking forward your response.
kind regards
Mohamed Ouaissa
________________________________
De : Mohamed ouaissa <m.ouaissa at yahoo.fr>
À : A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Envoyé le : Lundi 22 octobre 2012 17h52
Objet : Re: [Wien] LAPW2 END
Dear wien2k users,
for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END.
Im using wien2k_11.
Thanks in advance for your response
________________________________
De : Lyudmila Dobysheva <lyuka17 at mail.ru>
À : A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Envoyé le : Lundi 22 octobre 2012 14h46
Objet : Re: [Wien] LAPW2 END
21.10.2012 15:02, Mohamed ouaissa пишет:
> when i start runsp_lapw it stops after LAPW2 as it shown below:
> hup: Command not found.
> LAPW0 END
> LAPW1 END
> LAPW1 END
> LAPW2 END
> who can tell me what i should do or where i did a mistake?
Nobody can.
There is no
information in your letter.
Best wishes
Lyudmila Dobysheva
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