[Wien] probleme mit log. ableitung

[koushik pal]

Dear sir,
I intended to run some calculations of a system having hexagonal crystal
structure and 5 atoms in the unit cell. I have generated the correct
structure (visualized with Xcrysden) with the StructGen tool of WIEN2K .
But in the * **initialize calc.* step, after
doing  *x dstart , *an error or warning (?) *: probleme mit log. ableitung *is
coming*. *I am not able to understand this sentence. If I proceed with
that, the calculations (scf or optimization) stop giving the following
errors,

forrtl: severe (24): end-of-file during read, unit 8, file
/home/koushik/WIEN2k/Bi2Mg3/bimg-0/bimg-0.clmsum
Image              PC                Routine            Line
Source
lapw0              00000000005355BA  Unknown               Unknown  Unknown
lapw0              0000000000534135  Unknown               Unknown  Unknown
lapw0              00000000004DB556  Unknown               Unknown  Unknown
lapw0              000000000049D436  Unknown               Unknown  Unknown
lapw0              000000000049CBA9  Unknown               Unknown  Unknown
lapw0              00000000004B9D86  Unknown               Unknown  Unknown
lapw0              00000000004B7C19  Unknown               Unknown  Unknown
lapw0              00000000004375CB  MAIN__                    529  lapw0.F
lapw0              0000000000403D1C  Unknown               Unknown  Unknown
libc.so.6          0000003249C1D994  Unknown               Unknown  Unknown
lapw0              0000000000403C29  Unknown               Unknown  Unknown

>   stop error

I am stuck . Please help.


Thanks & Regards.

Koushik Pal
MS student
JNCASR, Bangalore
India

*
*
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