[Wien] request

[Saleem Ayaz]

Dear Sir 
I calculated the density of state in parallel mode by giving the command x lapw2c -p -qtl -up
and it give this error. Why the calculation show problem in Nd3Si1.25Se7.energyup thoup I used -p

forrtl: severe (24): end-of-file during read, unit 30, file /auto/scratch/khan/job_3984107.arien.ics.muni.cz/Nd3Si1.25Se7/Nd3Si1.25Se7.energyup
Image              PC                Routine            Line        Source
lapw2c             000000000061249A  Unknown               Unknown  Unknown
lapw2c             0000000000610F96  Unknown               Unknown  Unknown
lapw2c             00000000005BAF80  Unknown               Unknown  Unknown
lapw2c             00000000005753FF  Unknown               Unknown  Unknown
lapw2c             0000000000574907  Unknown               Unknown  Unknown
lapw2c             0000000000594996  Unknown               Unknown  Unknown
lapw2c             0000000000432A5E  fermi_                     43  fermi_tmp_.F
lapw2c             0000000000473A83  MAIN__                    296  lapw2_tmp_.F
lapw2c             000000000040418C  Unknown               Unknown  Unknown
libc.so.6          00002B2A06156C8D  Unknown               Unknown  Unknown
lapw2c             0000000000404089  Unknown               Unknown  Unknown
~




On Thursday, February 6, 2014 9:48 AM, "tran at theochem.tuwien.ac.at" <tran at theochem.tuwien.ac.at> wrote:
 
Hi,

For a parallel calculation (-p), the orbitals energies are printed
in case.energyup_1, case.energyup_2, etc. (the same for dn).



On Thu, 6 Feb 2014, Saleem Ayaz wrote:

> Dear users 
>  I run the scf for spin polarize calculation of Nd3Si1.25Se7 using GGA+U. 
> I used the command runsp_lapw -p -ec 0.00001 -orb and converged the energy. The calculations
> are completed but Nd3Si1.25Se7.energyup and  Nd3Si1.25Se7.energydn are empty. 
> Please help me what is the problem.
> 
>
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