Are you using the fixed band.pl and scf.pl files in the mailing list
archive:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html
On 11/30/2017 3:59 PM, Sergio Castillo Robles wrote:
Hi dear Wien users,
I would appreciate any help you could give me to solve this problem:
I am running the latest version of wien2k, 17.1 in a computer with
Processor (CPU): Intel(R) Core(TM)2 Extreme CPU Q6850 @ 3.00GHz
Speed: 1,998.00 MHz
Cores: 4 RAM: 2.0 GiB
OS: Linux 2.6.31.14-0.8-default x86_64
System: openSUSE 11.2 (x86_64)
KDE: 4.3.5 (KDE 4.3.5) "release 0"
SUSE Linux 4.4.1 gcc-4_4-branch revision 150839
The problem is the following: Im currently using the web interface in
firefox, I used the data provided in the UG for the TiC example, and
everything runs fine until i get to the bandstructure section.
When i try to calculate the eigenvalues by clicking in the button x
lapw1 -band it shows a message error:
-
Commandline: x lapw1 -band
Program input is: ""
forrtl: severe (24): end-of-file during read, unit 5, file
/home/armando/armando.in1c
Image PCRoutineLine
Source
lapw1c 0050A69D Unknown Unknown Unknown
lapw1c 005091A5 Unknown Unknown Unknown
lapw1c 004B6489 Unknown Unknown Unknown
lapw1c 004661A8 Unknown Unknown Unknown
lapw1c 004659B8 Unknown Unknown Unknown
lapw1c 00492659 Unknown Unknown Unknown
lapw1c 00436566 parallel_mp_init_ 75
modules_tmp_.F
lapw1c 0041786F gtfnam_89
gtfnam_tmp_.F
lapw1c 00432DAD MAIN__ 35 lapw1_tmp_.F
lapw1c 00404F4C Unknown Unknown Unknown
libc.so.6 2B431C49AA7D Unknown Unknown Unknown
lapw1c 00404E49 Unknown Unknown Unknown
0.004u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /opt/WIEN2k/lapw1c lapw1.def failed
P.D. I think that the file in1c has been created in another directory maybe?
Any suggestion will be appreciated. Thanks for your time.
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