Dear Sir,
I tried the same but the case.in1 gets incompletely generated as given below
WFFIL EF= 0.5 (WFFIL, WFPRI, ENFIL, SUPWF)
7.00 104 (R-MT*K-MAX; MAX L IN WF, V-NMT
0.303 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
0 -0.71 0.002 CONT
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Asunto: Re: [Wien] Fwd: Error in dstart
Put this data in
Struct Gen
the angles are; 90, 90, 120
I think that everything should go easily
De: Wien en nombre de Shakeel Khandy
Enviado: sábado, 3 de septiembre de 2016 12:59:58 a. m.
Para: A
Put this data in
Struct Gen
the angles are; 90, 90, 120
I think that everything should go easily
De: Wien en nombre de Shakeel Khandy
Enviado: sábado, 3 de septiembre de 2016 12:59:58 a. m.
Para: A Mailing list for WIEN2k users
Asunto: [Wien] Fwd: Error in
>
> Dear Sir,
>
please help me to genetae the exact structure. And explain that how can i
generate the structure of Mo2C with following experimental details
*Crystal structure Hexagonal*
*Space group P63/mmc *
*Group No (194)*
*At Positions *
*2Mo in XY Z*
* 1/3 2/31/4*
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