Check out the file
/home/IITJHOME/ambeshst/goutam/2017/Feb/10feb/stcmts/./stcmts.help031
I expect that you will find "****" in it, leading to the reading errors.
Check out for which energies this happens.
It should happen only for high lying (unoccupied) bands and if you are
not interested in the DOS at these very high energies, you can rerun
lapw1/lapw2 with a reduced EMAX in case.in1.
Otherwise one has to modify the energy parameters / or add some LOs at
proper energies.
On 02/10/2017 06:30 AM, GOUTAM KUMAR GUPTA wrote:
Now i start calculating the DOS but i am getting input conversion error shown
below.
forrtl: severe (64): input conversion error, unit 1001, file
/home/IITJHOME/ambeshst/goutam/2017/Feb/10feb/stcmts/./stcmts.help031
Image PC Routine Line Source
lapw2c 000000000051C01A Unknown Unknown Unknown
lapw2c 000000000051AB95 Unknown Unknown Unknown
lapw2c 00000000004C96B6 Unknown Unknown Unknown
lapw2c 000000000047BE86 Unknown Unknown Unknown
lapw2c 000000000047B5F9 Unknown Unknown Unknown
lapw2c 00000000004A5BD9 Unknown Unknown Unknown
lapw2c 000000000045E1CB outp_ 184 outp.f
lapw2c 0000000000451007 l2main_ 2171
l2main_tmp_.F
lapw2c 00000000004598DF MAIN__ 716 lapw2_tmp_.F
lapw2c 00000000004040AC Unknown Unknown Unknown
libc.so.6 000000344221D9C4 Unknown Unknown Unknown
lapw2c 0000000000403FB9 Unknown Unknown Unknown
20.137u 0.508s 0:20.81 99.1% 0+0k 0+0io 0pf+0w
error: command /home/IITJHOME/ambeshst/wien2k16/lapw2c lapw2.def failed
After that I rerun lapw1 but the problem persists.
please suggest me why this is occurring...
Thanks
--
*Goutam Kumar Gupta*
*Mob:8561995547*
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P.Blaha
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