Dear wien2k users,<br><br> We have completed SCF of a system successfully. But after achieving convergence when we go for DOS calculation, the following error occurs (after the command X lapw2 -qtl -c -up):<br><br><pre>
forrtl: severe (24): end-of-file during read, unit 29, file /home/shamik/Desktop/filename/filename.energydn
Image PC Routine Line Source
lapw2c 00000000006CB65A Unknown Unknown Unknown
lapw2c 00000000006CA1D5 Unknown Unknown Unknown
lapw2c 000000000067A0C6 Unknown Unknown Unknown
lapw2c 0000000000636BF6 Unknown Unknown Unknown
lapw2c 0000000000636369 Unknown Unknown Unknown
lapw2c 00000000006598B9 Unknown Unknown Unknown
lapw2c 00000000004C1147 fermi_ 67 fermi_tmp_.F
lapw2c 000000000059A6F6 MAIN__ 278 lapw2_tmp_.F
lapw2c 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003C3C01EE5D Unknown Unknown Unknown
lapw2c 0000000000403BC9 Unknown Unknown Unknown
1.147u 0.412s 0:01.56 99.3%        0+0k 0+20216io 0pf+0w
error: command /home/shamik/Desktop/Wien2K_30-12-08/WIEN2k/lapw2c uplapw2.def failed
</pre>We are unable to understand what could be the reason for this. Any response in this regard will be very helpful for us. Thanks in advance.<br><br>with regards,<br clear="all"><br>-- <br>Shamik Chakrabarti<br>Senior Research Fellow<br>
Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>