[Wien] Problem with DOS for Fe-Pd system

[Maxim Rakitin]

Dear WIEN2k users,

I have a problem with DOS for Fe-Pd system. Namely, I got null values 
for all tot, s, p, d, d-eg, d-t2g, f orbitals, and it seems very strange 
for me. Calculations of pure Fe gave me correct DOS states. Moreover, I 
got reasonable results of DOS for Fe-H-Pd system.

I performed spin-polarized calculation of Fe53Pd bcc system (see 
attached Fe53Pd.struct file (after minimization)). I used GGA-PBE96 XC 
potential., RKmax=8.75, size of k-mesh was 24 (4 irreducible k-points). 
SCF cycle was started by the following command: *min -j "runsp_lapw -p 
-I -ec 0.0001 -cc 0.001 -fc 1.0 -i 200"*, after it minimization 
completed successfully. Then I ran the following commands to generate 
*.qtl* files: *x lapw2 -p -c -qtl -up* and *x lapw2 -p -c -qtl -dn*, 
created Fe53Pd.int file (see in attachment) and ran *x tetra -c 
-up/-dn*. After it I got Fe53Pd.dosXup/dn files with 0.00000000 values 
for all states. I don't know where the problem came from, maybe I don't 
have proper *.vector* files in $SCRATCH directory. I've already tried to 
rerun *x lapw1 -p -c -up/-dn* and then *x lapw2 -p -c -qtl -up/-dn*, but 
the result was the same.

Could anyone suggest me what to do to get correct DOS? Do I need to 
provide any other input/output file? Any help will be really 
appreciated. Thanks in advance.
*_
Environment:_*
*WIEN2k version:* WIEN2k_08.3 (Release 18/9/2008)
*Machine type:* cluster with Infiniband interconnect and Torque batch system
*OS type:* Linux version 2.6.16.54-0.2.5-smp (geeko at buildhost) (gcc 
version 4.1.2 20070115 (prerelease) (SUSE Linux)) #1 SMP Mon Jan 21 
13:29:51 UTC 2008
*Fortran compiler:* 10.1.015
*MKL libraries:* 10.0.3.020 (em64t)

-- 
Best regards,
    Maxim Rakitin
    South Ural State University,
    Chelyabinsk, Russia
    email:rms85 at physics.susu.ac.ru
    web:http://www.susu.ac.ru

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