The error says: end of file of /home/arvind/arvind.in1c
You should NEVER do calculations in your home-directory.
When you make a new session in w2web, you MUST always also create a
directory and change into it.
When you create the next new session and you use again your
home-directory,
That in1c error should be due to a previously reported bug in version
17.1 [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17353.html
]. Since using the fixed band.pl and scf.pl files in the mailing list
archive will not fix all the other problems with 17.1, I recommend that
12.09.2013 16:27, sikandar azam wrote:
please sir find the files in the attachment which you asked from
Dear Sikander,
I do not see anything bad in your files except compexity, and I obtained
a spaghetti's figure with success (without scf cycle). A suspicious
place in your letters is number
Subject: Re: [Wien] Regarding band structure
I do not know the reason but it may work.
Instead of giving command x spaghetti -c give onlyx spaghetti.I assume this
will work as it have worked for me many times.
Regards:
Yasir Ali
Scientific Officer
NINVAST
NCP Complex
Quaid Azam
@zeus.theochem.tuwien.ac.at
*Sent:* Wednesday, September 11, 2013 6:21 AM
*Subject:* Re: [Wien] Regarding band structure
I do not know the reason but it may work.
Instead of giving command *x spaghetti -c* give only***x
spaghetti*.I assume this will work as it have worked for me many times.*
*
Regards:
Yasir Ali
for WIEN2k users wien@zeus.theochem.tuwien.ac.at
Sent: Wednesday, September 11, 2013 10:16 AM
Subject: Re: [Wien] Regarding band structure
Did you read the previous post as mentioned by Gavin Abo ???
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html
Which version of WIEN2k
11.09.2013 14:33, sikandar azam пишет:
I checked the the case.scfi and i have 28 eigen valves. And the number
of selected k-points 252. and dear sir Arshad i didn't run in the parallal.
Earlier there was Nk=251:
number of k-points read in case.vector=251
forrtl:
Did you run x lapw1 -band before? If not, the reason can be a mismatch
between your k-list and the vector file.
I do not want to discourage you, but the band structure for large sells
(supercells) does not look very pretty. The density of states (especially
PDOS) can be more informative.
Oleg
@zeus.theochem.tuwien.ac.at
Sent: Tuesday, September 10, 2013 5:28 PM
Subject: Re: [Wien] Regarding band structure
Did you run x lapw1 -band before? If not, the reason can be a mismatch
between your k-list and the vector file.
I do not want to discourage you, but the band structure for large sells
(supercells) does
spaghetti.def failed
--
*From:* Oleg Rubel oru...@lakeheadu.ca
*To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
*Sent:* Tuesday, September 10, 2013 5:28 PM
*Subject:* Re: [Wien] Regarding band structure
Did you run x lapw1 -band before
@zeus.theochem.tuwien.ac.at
Sent: Tuesday, September 10, 2013 6:03 PM
Subject: Re: [Wien] Regarding band structure
Your approach is correct. I do not see anything wrong. When I run x
spaghetti, this is what I see
SPAGH: Read band energy from case.output1 number of k-points read in
case.vector= 51
SPAGH
Your approach is correct. I do not see anything wrong. When I run x
spaghetti, this is what I see
SPAGH: Read band energy from case.output1
number of k-points read in case.vector= 51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st
: [Wien] Regarding band structure
And after that i edited the
edit.case.insp
What did you do at this step ?
Did your replace the xxx by your actual fermi energy ?
and after that when i run the
x spaghetti
so i get this
Commandline: *x spaghetti -c*
Program input is: **
number
@zeus.theochem.tuwien.ac.at
Sent: Tuesday, September 10, 2013 6:43 PM
Subject: Re: [Wien] Regarding band structure
And after that i edited the
edit.case.insp
What did you do at this step ?
Did your replace the xxx by your actual fermi energy ?
and after that when i run the
x spaghetti
so i get
*From:* Oleg Rubel oru...@lakeheadu.ca
*To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
*Sent:* Tuesday, September 10, 2013 5:28 PM
*Subject:* Re: [Wien] Regarding band structure
Did you run x lapw1 -band before
From: Gavin Abo gs...@crimson.ua.edu
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
Sent: Tuesday, September 10, 2013 10:03 PM
Subject: Re: [Wien] Regarding band structure
Your approach is correct. I do not see anything wrong. When I run x
spaghetti
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