This might be because of the bugs that were reported before. Are you
using the fixed band.pl and scf.pl files from the post:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16069.html
On 11/8/2017 12:42 PM, Osama Yassin wrote:
Dear Prof Blaha
I'm doing some calculations on Fe-doped ZnS (cubic with SG 216) using
Wien2k 17.1.
1- I set the k-mesh to 10x10x10 which correspond to 47 k-points.
2- The scf ended successfully.
3- Upon trying to plot the band structure I got the following error
forrtl: severe (24): end-of-file during read, unit 5, file
/home/osama/osama.in1c
Image PC Routine Line Source
lapw1c 0000000000461D5C Unknown Unknown Unknown
lapw1c 0000000000498EF9 Unknown Unknown Unknown
lapw1c 000000000043C27E parallel_mp_init_ 75
modules_tmp_.F
lapw1c 000000000041677E gtfnam_ 89
gtfnam_tmp_.F
lapw1c 000000000042F625 MAIN__ 35 lapw1_tmp_.F
lapw1c 000000000040446E Unknown Unknown Unknown
libc-2.23.so 00002AEDC7201731 __libc_start_main Unknown Unknown
lapw1c 0000000000404369 Unknown Unknown Unknown
0.003u 0.003s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/osama/Wien2k171/lapw1c uplapw1.def failed
this means it calls lapw1c instead of lapw1. Why this is happening
since the calculations are in a complex mode?. in another words, why
w2web does set the command line: x lapw1 -band -up instead of x lapw1c
-band - up?
If the command *x ** lapw1c -band -up is executed* *from the terminal
everything run without error.*
*
*
*Can you please clarify me this situation. Am I doing something wrong
or it is a bug?.*
*
*
*Best wishes*
*
*
*Osama
*
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