[Wien] Problem in calculating effective mass along High symmetry direction

[Gavin Abo]

According the post is this link:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/015945.html

You need to run "x lapw1 -dn".

On 4/7/2013 7:54 AM, Masood Yousaf wrote:
> Respected Wien2k Community
>
> We are relatively inexperience in calculating effective mass. We see 
> that some files are unreadable in *x lapw2 -band -qtl -up *. We try to 
> fix the problem in many ways but problem persist. Kindly suggest the 
> correction
>
> Commandline: *x lapw2 -band -qtl -up *
> Program input is: *""*
>
> forrtl: severe (24): end-of-file during read, unit 29, file /home/wien2k/masood/PressureHgZnIn2S4/HgIn2S4/calculations/GGAU/0b/0b.energydn
> Image              PC                Routine            Line        Source
> lapw2              000000000053BE1A  Unknown               Unknown  Unknown
> lapw2              000000000053A995  Unknown               Unknown  Unknown
> lapw2              00000000004DF6B6  Unknown               Unknown  Unknown
> lapw2              000000000049C476  Unknown               Unknown  Unknown
> lapw2              000000000049BBE9  Unknown               Unknown  Unknown
> lapw2              00000000004BF019  Unknown               Unknown  Unknown
> lapw2              000000000043457F  fermi_                     67  fermi_tmp_.F
> lapw2              00000000004726F3  MAIN__                    278  lapw2_tmp_.F
> lapw2              0000000000403CEC  Unknown               Unknown  Unknown
> libc.so.6          0000003A1922169D  Unknown               Unknown  Unknown
> lapw2              0000000000403BE9  Unknown               Unknown  Unknown
> 0.444u 0.006s 0:00.48 91.6%	0+0k 184+200io 1pf+0w
> error: command   /home/wien2k/wien2k/lapw2 uplapw2.def   failed
>
> Best wishes
> Masood

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