[Wien] Problem in calculating effective mass along High symmetry direction
Masood Yousaf
masoodyousaf1 at yahoo.com
Sun Apr 7 15:54:07 CEST 2013
Respected Wien2k Community
We are relatively inexperience in calculating effective mass. We see that some files are unreadable in x lapw2 -band -qtl -up . We try to fix the problem in many ways but problem persist. Kindly suggest the correction
Commandline: x lapw2 -band -qtl -up
Program input is: ""
forrtl: severe (24): end-of-file during read, unit 29, file /home/wien2k/masood/PressureHgZnIn2S4/HgIn2S4/calculations/GGAU/0b/0b.energydn
Image PC Routine Line Source
lapw2 000000000053BE1A Unknown Unknown Unknown
lapw2 000000000053A995 Unknown Unknown Unknown
lapw2 00000000004DF6B6 Unknown Unknown Unknown
lapw2 000000000049C476 Unknown Unknown Unknown
lapw2 000000000049BBE9 Unknown Unknown Unknown
lapw2 00000000004BF019 Unknown Unknown Unknown
lapw2 000000000043457F fermi_ 67 fermi_tmp_.F
lapw2 00000000004726F3 MAIN__ 278 lapw2_tmp_.F
lapw2 0000000000403CEC Unknown Unknown Unknown
libc.so.6 0000003A1922169D Unknown Unknown Unknown
lapw2 0000000000403BE9 Unknown Unknown Unknown
0.444u 0.006s 0:00.48 91.6% 0+0k 184+200io 1pf+0w
error: command /home/wien2k/wien2k/lapw2 uplapw2.def failed
Best wishes
Masood
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