This was a bug which occurred for more than 100 atoms, when there was no
space between ATOM:-100. It is fixed here.
.lcore is now only copied if it exists.
I also changed the settings of RMT and use setrmt instead. No counting
of atoms anymore
Regards
Peter
Am 24.07.2022 um 09:16
Dear Peter or Pavel,
If running init_phonon for n cases using for init option "2", run init_lapw
(batch mode) for every second case for positive and negative displacement,
then the last structure (n) is wrong and has the same displacement as the last
but one (n-1).
When running init_lapw for
Dear users,
Trying to convert Mo.d45 (the example of Wien) to Mo.dat (for phonon
calculations), i encountered this error message:
Fatal Error occured:
Error reading file: X.d45
Program terminated.
c: Subscript out of range.
Does anyone have a comment? How should i fix this problem?
Thank You
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