does not match with experiment.
Any help will be highly appreciated.
Thank you.
KRISH
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to unit 4 *
Am I missing anything here? Could someone help?
Thanks in advance.
Best regards,
KRISH
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Dear WIEN2k users,
The above mentioned case.injoint input file gives me syntax error when I do
x joint -up
forrtl: severe (59): list-directed I/O syntax error, unit 5, file
/home/krish/WIEN2k/us-lsda-op-xm2/us-lsda-op-xm2.injoint
Image PCRoutineLine
*-10.243054336 Ry
:2P 001: 2P -10.150333457 Ry
How can I resolve the issue? Could you help me?
Thank you.
KRISH
On Sun, 31 Jan 2021 at 15:26, KRISH wrote:
> Dear Wien2k Users,
>
> My question is, I am not sure, how to choose the core_E2 value.
>
> The only core values avail
?
Best regards,
KRISH
On Mon, 25 Jan 2021 at 16:00, KRISH wrote:
> Dear WIEN2k users,
>
> The above mentioned case.injoint input file gives me syntax error when I do
> x joint -up
>
> forrtl: severe (59): list-directed I/O syntax error, unit 5, file
> /home/krish/WIE
this? Could you help me?
Thank you.
KRISH
On Mon, 1 Feb 2021 at 19:36, KRISH wrote:
> Prof. Peter Blaha,
>
> I used spin polarized + spin-orbit calculation. I have got the spin-up and
> spin-dn S-1s core energies.
> Here are the core energy values:
> cas.scfcup
>
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