<div dir="ltr"><div style>Dear Wien2k users</div><div style><br></div><div style>I am am running mBJGGA calculations for ternary alloy. the super cell is of 8 atoms and doping is 0.75. For 0.25 doping, the mBJGGA calculations (spin is involved) have completed with no error, but for 0.75 doping the following error is appearing. </div>
<div><br></div><div><br></div><div>[msajjad@msajjad SCF75]$ runsp_lapw -cc 0.00001 -in1new 2 -i 100 -NI</div><div>forrtl: severe (24): end-of-file during read, unit 60, file /home/msajjad/3rdpaper/MgVTe/SCF75/SCF75.inhf</div>
<div>Image PC Routine Line Source </div><div>lapw0 00000000005405AD Unknown Unknown Unknown</div><div>lapw0 000000000053F0B5 Unknown Unknown Unknown</div>
<div>lapw0 00000000004DF760 Unknown Unknown Unknown</div><div>lapw0 000000000049E7AA Unknown Unknown Unknown</div><div>lapw0 000000000049DFA0 Unknown Unknown Unknown</div>
<div>lapw0 00000000004BDE9C Unknown Unknown Unknown</div><div>lapw0 0000000000441273 MAIN__ 255 lapw0.F</div><div>lapw0 0000000000403BAC Unknown Unknown Unknown</div>
<div>libc.so.6 00000034BF01ECDD Unknown Unknown Unknown</div><div>lapw0 0000000000403AA9 Unknown Unknown Unknown</div><div><br></div><div>> stop error</div><div><br>
</div><div><br></div><div style>Please help me to overcome this problem.</div><div style><br></div><div style>With thanks</div><div style>M. Sajjad</div></div>