You are absolutely right.
It is embarrassing that this error came in again in version 13.1
The problem concerns all runsp -orb -so calculations, where
case.vorbup has imaginary parts.
Thank's for the report
On 03/05/2014 07:37 AM, Lee, Yongbin [A LAB] wrote:
Dear Peter Blaha,
Thank you very much for your replay. I will get back to you with my results
after using this command.
Thanking you ..
On Wed, Mar 5, 2014 at 11:59 AM, Peter Blaha
pbl...@theochem.tuwien.ac.atwrote:
runfsm -m XX
Am 05.03.2014 06:56, schrieb Peram sreenivasa reddy:
Dear
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