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On 03/19/2015 06:50 AM, Khandmaa TS wrote:
Dear all.
I'm a new user of WIEN2k. I installed WIEN2k
13.1. in ubuntu 14.04.I tried to run the TiC example as per the Quick
Start instructions in the User's Guide. But it doesn't work. I tried
to run SCF cycle and I got the following this error
Please find my error.
On Thu, Mar 19, 2015 at 4:34 PM, Peter Blaha pbl...@theochem.tuwien.ac.at
wrote:
We need some more info.
Send me the case.scf1 file.
On 03/19/2015 09:32 AM, Khandmaa TS wrote:
What should I do now?
On Thu, Mar 19, 2015 at 4:25 PM, Peter Blaha
pbl
What should I do now?
On Thu, Mar 19, 2015 at 4:25 PM, Peter Blaha pbl...@theochem.tuwien.ac.at
wrote:
This looks ok now.
On 03/19/2015 09:22 AM, Khandmaa TS wrote:
TiC
F LATTICE,NONEQUIV.ATOMS: 2
MODE OF CALC=RELA unit=ang
8.178738 8.178738 8.178738 90.00 90.00 90.00
routines.
As I said before: upgrade your wien2k to version 14.2
(or dig into the old mailing list archive, where this problem was
described).
On 03/19/2015 09:38 AM, Khandmaa TS wrote:
Please find my error.
On Thu, Mar 19, 2015 at 4:34 PM, Peter Blaha
pbl...@theochem.tuwien.ac.at mailto:pbl
Dear all.
I'm a new user of WIEN2k. I installed WIEN2k
13.1. in ubuntu 14.04.I tried to run the TiC example as per the Quick
Start instructions in the User's Guide. But it doesn't work. I tried
to run SCF cycle and I got the following this error:
hup: Command not found.
STOP LAPW0 END
STOP
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