Dear Wien2k Users,
After this command: runsp_lapw -ec 0.1 -cc 0.1 -NI -i 50
I get hup: Command not found. error.
Please, can you help me?
--
Hüsnü Kara
Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
Dear Wien2k Users,
After this command: runsp_lapw -so -ec 0.1 -cc 0.1 -NI -p
I get
hup: Command not found.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PCRoutineLine
Source
lapw0 005521B9 Unknown
I think that this error has no effect on your calculation,that's what they
told me before
2014-06-03 11:57 GMT+00:00 hüsnü kara husnukar...@gmail.com:
Dear Wien2k Users,
After this command: runsp_lapw -ec 0.1 -cc 0.1 -NI -i 50
I get hup: Command not found. error.
Please, can you
Ok. Thank you
With Regards,
3 Haz 2014 15:37 tarihinde Brahim ABRAIME b.abra...@gmail.com yazdı:
I think that this error has no effect on your calculation,that's what they
told me before
2014-06-03 11:57 GMT+00:00 hüsnü kara husnukar...@gmail.com:
Dear Wien2k Users,
After this command:
Dear WIEN2k developers and users,
How can we identify different atoms from electron density curves
plotted by rhoplot?
Thanking you,
Saurabh Samant
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Wien@zeus.theochem.tuwien.ac.at
Dear wien2k users,
I am doing calculations (v13.1) of band structure characters with SOC for
MoS2 (x lapw2 -so -band -qtl). I have found that the lower valence band
split due to spin-orbit coupling has very tiny fat balls for all the atoms
and orbitals. What would be (physical) reason for loosing
Dear Martin,
It seems that two bands are degenerated in that region(x~1.05) ,
so that they share half of the weight as following:
1
===.5 X 2
0
Best,
Kyoo
2014-06-04 5:06 GMT+09:00 Martin Gmitra martin.gmi...@gmail.com:
Dear wien2k users,
I am doing
Dear WIEN2k users,
I am trying to calculate the plasma frequency for a magnetic system.
I find that if the calculation is with spin-orbit then the 'up' and 'dn'
values are the same, so I tried the CrO2 system;
a=b=4.36A
c=2.897
angles=90
group: 136 (P 42/m n m)
This is a half
Dear WIEN2k users,
I want to make some corrections;
I was not calculating the optic properties correctly, I was using
x optic -up
x optic -dn
for the calculations with spin-orbit coupling
but when I use the correct options;
x optic -c -so -up
x optic -c -so -dn
I get the same
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