<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><pre>Hello every wien user this is my first calculation of so with acompound ( examle:AB3N4) or BN doped with A<br>the calculation without SO and with SO (SCF) done well<br>but when I tried to optimize the volume <br>with runsp_lapw -so<br>this error was obtained<br><br>thank you for help<br><br><br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown 
 Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.000u 0.002s 0:00.00 0.0%        0+0k 0+24io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown              
 Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.001u 0.000s 0:00.00 0.0%        0+0k 0+16io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart updstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown        
       Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.000u 0.002s 0:00.00 0.0%        0+0k 0+16io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dndstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file
 /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.001u 0.000s 0:00.00 0.0%        0+0k
 0+8io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5 
 Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.000u 0.001s 0:00.00 0.0%        0+0k 0+0io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart updstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart            
 08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.001u 0.002s 0:00.00 0.0%        0+0k 0+0io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dndstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart         
    0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.003u 0.002s 0:00.00 0.0%        0+0k 0+0io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmsum<br>Image              PC        Routine            Line        Source             <br>clmaddsub          080A085D  Unknown               Unknown  Unknown<br>clmaddsub          0809F655  Unknown               Unknown  Unknown<br>clmaddsub          08073FCF  Unknown               Unknown  Unknown<br>clmaddsub         
 08052347  Unknown               Unknown  Unknown<br>clmaddsub          08051CCB  Unknown               Unknown  Unknown<br>clmaddsub          0805FC87  Unknown               Unknown  Unknown<br>clmaddsub          0804AFBB  Unknown               Unknown  Unknown<br>clmaddsub          08049FA1  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>clmaddsub          08049EB1  Unknown               Unknown  Unknown<br>0.012u 0.000s 0:00.01 100.0%        0+0k 0+208io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/clmaddsub clmaddsub.def   failed<br>clmextrapol_lapw has generated a new Optimization_SO.clmsum<br>forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart       
      080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown               Unknown  Unknown<br>0.002u 0.000s 0:00.00 0.0%        0+0k 0+0io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart updstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmup<br>Image              PC       
 Routine            Line        Source             <br>clmaddsub          080A085D  Unknown               Unknown  Unknown<br>clmaddsub          0809F655  Unknown               Unknown  Unknown<br>clmaddsub          08073FCF  Unknown               Unknown  Unknown<br>clmaddsub          08052347  Unknown               Unknown  Unknown<br>clmaddsub          08051CCB  Unknown               Unknown  Unknown<br>clmaddsub          0805FC87  Unknown               Unknown  Unknown<br>clmaddsub          0804AFBB  Unknown               Unknown  Unknown<br>clmaddsub          08049FA1  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>clmaddsub          08049EB1  Unknown               Unknown  Unknown<br>0.007u 0.005s 0:00.01 0.0%        0+0k 0+200io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/clmaddsub upclmaddsub.def   failed<br>clmextrapol_lapw has generated a new Optimization_SO.clmup<br>forrtl: severe
 (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn<br>Image              PC        Routine            Line        Source             <br>dstart             080CF94D  Unknown               Unknown  Unknown<br>dstart             080CE745  Unknown               Unknown  Unknown<br>dstart             0809893F  Unknown               Unknown  Unknown<br>dstart             080720B7  Unknown               Unknown  Unknown<br>dstart             08071A3B  Unknown               Unknown  Unknown<br>dstart             0807E457  Unknown               Unknown  Unknown<br>dstart             08055057  Unknown               Unknown  Unknown<br>dstart             08053D4E  Unknown               Unknown  Unknown<br>dstart             0804A181  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>dstart             0804A091  Unknown              
 Unknown  Unknown<br>0.001u 0.001s 0:00.00 0.0%        0+0k 0+0io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/dstart dndstart.def   failed<br>forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmdn<br>Image              PC        Routine            Line        Source             <br>clmaddsub          080A085D  Unknown               Unknown  Unknown<br>clmaddsub          0809F655  Unknown               Unknown  Unknown<br>clmaddsub          08073FCF  Unknown               Unknown  Unknown<br>clmaddsub          08052347  Unknown               Unknown  Unknown<br>clmaddsub          08051CCB  Unknown               Unknown  Unknown<br>clmaddsub          0805FC87  Unknown               Unknown  Unknown<br>clmaddsub          0804AFBB  Unknown               Unknown  Unknown<br>clmaddsub          08049FA1  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown              
 Unknown  Unknown<br>clmaddsub          08049EB1  Unknown               Unknown  Unknown<br>0.008u 0.007s 0:00.00 0.0%        0+0k 0+208io 0pf+0w<br>error: command   /root/WIEN2010/WIEN10/clmaddsub dnclmaddsub.def   failed<br>clmextrapol_lapw has generated a new Optimization_SO.clmdn<br>forrtl: severe (24): end-of-file during read, unit 8, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.clmsum<br>Image              PC        Routine            Line        Source             <br>lapw0              08138A8D  Unknown               Unknown  Unknown<br>lapw0              08137885  Unknown               Unknown  Unknown<br>lapw0              080F5F9F  Unknown               Unknown  Unknown<br>lapw0              080C8637  Unknown               Unknown  Unknown<br>lapw0              080C7FBB  Unknown               Unknown  Unknown<br>lapw0              080D9E77  Unknown               Unknown  Unknown<br>lapw0              080715BD  Unknown          
     Unknown  Unknown<br>lapw0              0804A431  Unknown               Unknown  Unknown<br>libc.so.6          002F66D5  Unknown               Unknown  Unknown<br>lapw0              0804A341  Unknown               Unknown  Unknown<br><br>&gt;   stop error<br>ERROR status in Optimization_SO_vol___2.0<br><br></pre>



<br>
</td></tr></table><br>