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

[Masood Yousaf]

Respected Gavin Abo and wien Community

I still get the sam result even after doing calculations with down state. Kindly have a look at the x spaghetti  (attached below).  Thank you once again

Commandline: x spaghetti 
Program input is: "" 


number of k-points read in case.vector=         111 k-point nr            1  not treated with irrep k-point nr           81  not treated with irrep k-point nr           82  not treated with irrep k-point nr           83  not treated with irrep k-point nr           84  not treated with irrep k-point nr           85  not treated with irrep k-point nr           86  not treated with irrep k-point nr           87  not treated with irrep k-point nr           88  not treated with irrep k-point nr           89  not treated with irrep k-point nr           90  not treated with irrep k-point nr           91  not treated with irrep k-point nr           92  not treated with irrep k-point nr           93  not treated with irrep k-point nr           94  not treated with irrep k-point nr           95  not treated with irrep k-point nr           96  not treated with irrep k-point nr           97  not treated with irrep k-point nr           98  not treated with irrep
 k-point nr           99  not treated with irrep k-point nr          100  not treated with irrep k-point nr          101  not treated with irrep here          80 C4v
SPAGH END
0.258u 0.218s 0:00.48 95.8%	0+0k 0+7912io 0pf+0w 


Best wishes
Masood



>________________________________
> From: Gavin Abo <gsabo at crimson.ua.edu>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
>Sent: Monday, April 8, 2013 12:04 AM
>Subject: Re: [Wien] Problem in calculating effective mass along High symmetry direction
> 
>
>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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