[Wien] Error in DOS calculation

shamik chakrabarti shamikphy at gmail.com
Mon Jan 2 10:34:29 CET 2012


Dear wien2k users,

      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):

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

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.

with regards,

-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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