<div dir="ltr">
<span></span>
<p style="line-height:100%;margin-bottom:0in;background:transparent">
Dear Sir/Ma'am</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">Greetings!</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">I am running elastic
properties using the ELAST package in WIEN2k_24.1 for Fm-3m space
group. First I run the init_elast command, afterward in elast
directory i run ./eos.job, ./rhomb.job and ./tetra.job</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">out of which
./eos.job and ./rhomb.job run successfully without any error, but
while running ./tetra.job, I am getting errors. The output of
init_elast and ./tetra.job are given below. Kindly help me to resolve
the issue</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> init_elast</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Template files
generated...</p><p style="line-height:100%;margin-bottom:0in;background:transparent">******************************************</p><p style="line-height:100%;margin-bottom:0in;background:transparent">INITIALIZATION for
TETRAGONAL CALCULATIONS</p><p style="line-height:100%;margin-bottom:0in;background:transparent">******************************************</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> next is setrmt</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is nn</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> specify
nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
(about</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1.d-5, 20)]</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> dfac,DSTMAX:
2.00000000000000 23.2712166000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> iix,iiy,iiz
3 3 5 62.5822680000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 62.5822680000000
104.825300000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 1 Na
ATOM 4 Br
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">RMT( 1)=1.60000
AND RMT( 4)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 3.81000
LT. NN-DIST= 7.37668</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 2 Ag
ATOM 4 Br
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 2)=2.40000
AND RMT( 4)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.61000
LT. NN-DIST= 5.35258</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 3 In
ATOM 4 Br
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 3)=2.50000
AND RMT( 4)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.71000
LT. NN-DIST= 5.07780</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 4 Br
ATOM 3 In
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 4)=2.21000
AND RMT( 3)=2.50000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.71000
LT. NN-DIST= 5.07780</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> WARNING: Mult not
equal. PLEASE CHECK outputnn-file</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> WARNING: ityp not
equal. PLEASE CHECK outputnn-file</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> WARNING: ityp not
equal. PLEASE CHECK outputnn-file</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> NN created a new
tetra.struct_nn file</p><p style="line-height:100%;margin-bottom:0in;background:transparent">NN created a new
CASE.STRUCT_NN FILE</p><p style="line-height:100%;margin-bottom:0in;background:transparent">0.012u 0.005s
0:00.01 100.0% 0+0k 0+96io 0pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Original struct
file is saved to tetra.struct_init</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is nn</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> specify
nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
(about</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1.d-5, 20)]</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> dfac,DSTMAX:
2.00000000000000 23.2712166000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> iix,iiy,iiz
3 3 5 62.5822680000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 62.5822680000000
104.825300000000
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> NAMED ATOM: Na1
Z changed to IATNR+1000 to determine equivalency</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> NAMED ATOM: Ag2
Z changed to IATNR+1000 to determine equivalency</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> NAMED ATOM: In3
Z changed to IATNR+1000 to determine equivalency</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> NAMED ATOM: Br4
Z changed to IATNR+1000 to determine equivalency</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> NAMED ATOM: Br5
Z changed to IATNR+1000 to determine equivalency</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 1 Na1
ATOM 5 Br5
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 1)=1.60000
AND RMT( 5)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 3.81000
LT. NN-DIST= 7.37668</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 2 Ag2
ATOM 4 Br4
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 2)=2.40000
AND RMT( 4)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.61000
LT. NN-DIST= 5.35258</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 3 In3
ATOM 4 Br4
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 3)=2.50000
AND RMT( 4)=2.21000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.71000
LT. NN-DIST= 5.07780</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 4 Br4
ATOM 3 In3
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 4)=2.21000
AND RMT( 3)=2.50000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.71000
LT. NN-DIST= 5.07780</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"> ATOM 5 Br5
ATOM 3 In3
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT( 5)=2.21000
AND RMT( 3)=2.50000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SUMS TO 4.71000
LT. NN-DIST= 5.10319</p><p style="line-height:100%;margin-bottom:0in;background:transparent">NN ENDS</p><p style="line-height:100%;margin-bottom:0in;background:transparent">0.025u 0.016s
0:00.04 75.0% 0+0k 0+88io 0pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is sgroup</p><p style="line-height:100%;margin-bottom:0in;background:transparent">> sgroup
(11:25:06) 0.000u 0.004s 0:00.00 0.0% 0+0k 0+8io 0pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Names of point
group: -4m2 -4m2 D2d</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Names of point
group: 4/mmm 4/m 2/m 2/m D4h</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Names of point
group: 4/mmm 4/m 2/m 2/m D4h</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Names of point
group: mm2 mm2 C2v</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Names of point
group: 4mm 4mm C4v</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Number and name of
space group: 139 (I 4/m m m)</p><p style="line-height:100%;margin-bottom:0in;background:transparent">warning: !!! Bravais
lattice has changed.</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is symmetry</p><p style="line-height:100%;margin-bottom:0in;background:transparent">> symmetry
(11:25:06) SPACE GROUP CONTAINS INVERSION</p><p style="line-height:100%;margin-bottom:0in;background:transparent">0.018u 0.012s
0:00.03 66.6% 0+0k 0+48io 0pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is lstart</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SELECT XCPOT:</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> recommended: PBE
[(13) GGA of Perdew-Burke-Ernzerhof 96]</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> LDA
[( 5)]</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> WC
[(11) GGA of Wu-Cohen 2006]</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
PBESOL [(19) GGA of Perdew etal. 2008]</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> SELECT ENERGY to
separate core and valence states:</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> recommended: -6.0
Ry (check how much core charge leaks out of MT-sphere)</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> ALTERNATIVELY:
specify charge localization</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> (between 0.97 and
1.0) to select core state</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">Atomic configuration
for atom: Na1 Z= 11.00</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> E-up(Ry)
E-dn(Ry) Occupancy q/sphere core-state</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1S -75.972830
-75.972830 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2S -4.171076
-4.171076 1.00 1.00 0.9700 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P* -2.115980
-2.115980 1.00 1.00 0.9416 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P -2.102837
-2.102837 2.00 2.00 0.9408 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3S -0.201688
-0.201688 0.50 0.50 0.0286 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Atomic configuration
for atom: Ag2 Z= 47.00</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> E-up(Ry)
E-dn(Ry) Occupancy q/sphere core-state</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1S -1860.659672
-1860.659672 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2S -273.882832
-273.882832 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P* -254.508984
-254.508984 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P -241.622601
-241.622601 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3S -50.212731
-50.212731 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P* -42.507558
-42.507558 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P -40.233369
-40.233369 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D* -26.597507
-26.597507 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D -26.139560
-26.139560 3.00 3.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4S -6.981993
-6.981993 1.00 1.00 0.9994 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P* -4.560167
-4.560167 1.00 1.00 0.9976 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P -4.186484
-4.186484 2.00 2.00 0.9966 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4D* -0.571988
-0.571988 2.00 2.00 0.9171 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4D -0.531069
-0.531069 3.00 3.00 0.9097 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 5S -0.323843
-0.323843 0.50 0.50 0.2967 F</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">Atomic configuration
for atom: In3 Z= 49.00</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> E-up(Ry)
E-dn(Ry) Occupancy q/sphere core-state</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1S -2038.603193
-2038.603193 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2S -305.140246
-305.140246 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P* -284.549866
-284.549866 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P -269.050694
-269.050694 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3S -57.896338
-57.896338 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P* -49.589269
-49.589269 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P -46.789674
-46.789674 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D* -32.102870
-32.102870 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D -31.529322
-31.529322 3.00 3.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4S -8.776372
-8.776372 1.00 1.00 0.9999 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P* -6.064448
-6.064448 1.00 1.00 0.9995 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P -5.575828
-5.575828 2.00 2.00 0.9992 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4D* -1.394086
-1.394086 2.00 2.00 0.9780 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4D -1.330945
-1.330945 3.00 3.00 0.9757 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 5S -0.594946
-0.594946 1.00 1.00 0.5119 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 5P* -0.194074
-0.194074 0.50 0.50 0.2407 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Atomic configuration
for atom: Br4 Z= 35.00</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> E-up(Ry)
E-dn(Ry) Occupancy q/sphere core-state</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 1S -978.517781
-978.517781 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2S -127.314674
-127.314674 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P* -114.644802
-114.644802 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 2P -111.153409
-111.153409 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3S -17.486864
-17.486864 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P* -13.082230
-13.082230 1.00 1.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3P -12.579941
-12.579941 2.00 2.00 1.0000 T</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D* -4.945251
-4.945251 2.00 2.00 0.9995 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 3D -4.865507
-4.865507 3.00 3.00 0.9995 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4S -1.477114
-1.477114 1.00 1.00 0.8228 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P* -0.600492
-0.600492 1.00 1.00 0.6330 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 4P -0.564107
-0.564107 1.50 1.50 0.6109 F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">LSTART ENDS</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> atom 2 has a large
sphere , consider setting HDLOs and/or larger LVNS</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> atom 3 has a large
sphere , consider setting HDLOs and/or larger LVNS</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> RMT_min: 1.6000
Z_min: 11</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> Atomic spheres .gt.
2.35 may lead to linearization errors</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> For more accuracy
rerun with -hdlo switch</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> set RKmax =
6.22500000000000000000</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> set LVNS = 6</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> set GMAX = 16.0</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> set IFFTfac = 2.0</p><p style="line-height:100%;margin-bottom:0in;background:transparent">> inputfiles
prepared (11:25:07)
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> inputfiles prepared</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is kgen</p><p style="line-height:100%;margin-bottom:0in;background:transparent">KGEN ENDS</p><p style="line-height:100%;margin-bottom:0in;background:transparent">NUMK: 1000</p><p style="line-height:100%;margin-bottom:0in;background:transparent">basic k-mesh: 6, 6,
6 = 216, kfactor = 1</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> NUMBER OF K-POINTS
IN WHOLE CELL: (0 for 3 divisions of K, -1 for delta-K)</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> length of
reciprocal lattice vectors (bohr^-1): 0.521 0.521 0.521</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> 30
k-points generated, ndiv= 6 6 6</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> delta-K (bohr^-1):
0.0868 0.0868 0.0868</p><p style="line-height:100%;margin-bottom:0in;background:transparent">KGEN ENDS</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> next is dstart</p><p style="line-height:100%;margin-bottom:0in;background:transparent">> dstart -p
> & .mist (11:25:07) running dstart in single mode</p><p style="line-height:100%;margin-bottom:0in;background:transparent">forrtl: severe (24):
end-of-file during read, unit 81, file
/home/pkk/wiendata/Peeyush/Na2AgInBr6_elast/Na2AgInBr6/elast/tetra/tetra.rsp</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Image
PC Routine Line Source
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000447088 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000416777 init 167 init.F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000413BB6 dstart 1 dstart.F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
00000000004067FD Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
00000B17ED22A1CA Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
00000B17ED22A28B __libc_start_main Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000406715 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">0.063u 0.053s
0:00.16 68.7% 0+0k 120+32io 2pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent">error: command
/home/pkk/WIEN2k/dstartpara dstart.def failed</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent"> init_lapw finished
ok
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><div><br></div><div><br></div><p style="line-height:100%;margin-bottom:0in;background:transparent">
=============================================</p><p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">$ ./tetra.job</p><p style="line-height:100%;margin-bottom:0in;background:transparent">tetra___0.0</p><p style="line-height:100%;margin-bottom:0in;background:transparent">forrtl: severe (24):
end-of-file during read, unit 81, file
/home/pkk/wiendata/Peeyush/Na2AgInBr6_elast/Na2AgInBr6/elast/tetra/tetra.rsp</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Image
PC Routine Line Source
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000447088 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000416777 init 167 init.F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000413BB6 dstart 1 dstart.F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
00000000004067FD Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
000007CDD522A1CA Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
000007CDD522A28B __libc_start_main Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">dstart
0000000000406715 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">0.026u 0.022s
0:00.05 80.0% 0+0k 0+16io 0pf+0w</p><p style="line-height:100%;margin-bottom:0in;background:transparent">error: command
/home/pkk/WIEN2k/dstart dstart.def failed</p><p style="line-height:100%;margin-bottom:0in;background:transparent">forrtl: severe (24):
end-of-file during read, unit 8, file
/home/pkk/wiendata/Peeyush/Na2AgInBr6_elast/Na2AgInBr6/elast/tetra/tetra.clmsum</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Image
PC Routine Line Source
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">lapw0
0000000001223FE8 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">lapw0
00000000004623FF lapw0 337 lapw0.F</p><p style="line-height:100%;margin-bottom:0in;background:transparent">lapw0
0000000000406A7D Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
00000BC90382A1CA Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">libc.so.6
00000BC90382A28B __libc_start_main Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">lapw0
0000000000406995 Unknown Unknown Unknown</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: *scf1*: No
such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw2*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw1*.error:
No such file or directory</p><p style="line-height:100%;margin-bottom:0in;background:transparent">grep: lapw1*.error:
No such file or directory</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">> stop error</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">ERROR status in
tetra___0.0</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">===================================</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p><p style="line-height:100%;margin-bottom:0in;background:transparent">Please guide me to
overcome this issue.</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0in;background:transparent">Best regards</p>
<br></div>