Mailing List:
wien@zeus.theochem.tuwien.ac.at
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3
replies
error in parallel lapw2
started 2018-10-20 12:58:28 UTC
2018-10-20 23:54:29 UTC
Gavin Abo
4
replies
creating a supercell
started 2018-10-20 01:21:38 UTC
2018-10-20 01:55:21 UTC
shaymlal dayananda
0
replies
Postdoctoral position (with some DFT)
started 2018-10-19 20:13:15 UTC
2018-10-19 20:13:15 UTC
Laurence Marks
1
reply
Possible technical error in telnes
started 2018-10-19 18:10:42 UTC
2018-10-19 19:53:21 UTC
Laurence Marks
0
replies
OpenMP parallelization in lapw0
started 2018-10-19 16:21:55 UTC
2018-10-19 16:21:55 UTC
Pavel Ondračka
1
reply
question about submitting job to the queue
started 2018-10-17 20:19:59 UTC
2018-10-18 06:47:23 UTC
Gavin Abo
1
reply
Procedure or steps to calculate phonon
started 2018-10-15 21:42:29 UTC
2018-10-16 09:40:23 UTC
Gavin Abo
5
replies
[SPAM?] How to obtain ELNES simulation results consistent with experiments ?
started 2018-10-15 16:53:44 UTC
2018-10-16 07:04:25 UTC
丁一凡
4
replies
The new method of optimizing the internal parameter
started 2018-10-15 19:02:41 UTC
2018-10-15 20:11:25 UTC
karima Physique
6
replies
character plot, crystallography related and min_lapw
started 2018-10-10 16:46:31 UTC
2018-10-11 12:40:07 UTC
Lawal Mohammed
0
replies
possible bug in orb
started 2018-10-10 22:50:30 UTC
2018-10-10 22:50:30 UTC
Kateryna Foyevtsova
0
replies
The question about the calculation with the magnetic field
started 2018-10-10 12:53:23 UTC
2018-10-10 12:53:23 UTC
李艳丽
1
reply
How to edit case.dmatup/dn files for desired spin magnetic moment of atoms?
started 2018-10-06 22:53:43 UTC
2018-10-09 19:27:01 UTC
Laurence Marks
0
replies
eigenstates issue for -SO calculations
started 2018-10-06 13:21:45 UTC
2018-10-06 13:21:45 UTC
Dr. K. C. Bhamu
4
replies
Segmentation Fault after CORE END
started 2018-10-05 02:31:50 UTC
2018-10-06 04:06:59 UTC
Laurence Marks
3
replies
nlvdw crash with wirn2k_18.2
started 2018-09-28 01:56:41 UTC
2018-10-03 16:15:36 UTC
Gavin Abo
0
replies
HOMO-LUMO
started 2018-10-02 20:33:41 UTC
2018-10-02 20:33:41 UTC
chin Sabsu
0
replies
Minor bug in mixer
started 2018-10-01 23:03:19 UTC
2018-10-01 23:03:19 UTC
Laurence Marks
2
replies
BerryPI
started 2018-10-01 15:57:38 UTC
2018-10-01 18:35:42 UTC
Dr. K. C. Bhamu
0
replies
updating Wien2k
started 2018-10-01 16:18:21 UTC
2018-10-01 16:18:21 UTC
Luc Fruchter
1
reply
Regarding structure convergence
started 2018-09-29 00:40:49 UTC
2018-10-01 15:12:59 UTC
sandeep Kumar
1
reply
E
started 2018-09-28 13:54:26 UTC
2018-09-28 16:25:44 UTC
Gavin Abo
3
replies
Req. info. about case.inso for BiFeO3
started 2018-09-25 17:04:47 UTC
2018-09-28 16:01:10 UTC
Dr. K. Balamurugan
6
replies
High-spin, Low-spin calculations.
started 2018-09-23 23:07:14 UTC
2018-09-27 16:45:46 UTC
Gavin Abo
1
reply
fail to install Wien2k 18
started 2018-09-26 11:33:17 UTC
2018-09-26 17:12:54 UTC
Gavin Abo
0
replies
Anyone experienced with openmp?
started 2018-09-24 19:33:46 UTC
2018-09-24 19:33:46 UTC
Laurence Marks
6
replies
Surface adsorption
started 2018-09-24 17:37:27 UTC
2018-09-24 18:43:15 UTC
Riyajul Islam
1
reply
[WIEN] wn-readbakgen.f for XCrySDen
started 2018-09-24 14:20:27 UTC
2018-09-24 14:49:00 UTC
Ulrich Wedig
10
replies
error in mBJ
started 2018-09-10 00:51:54 UTC
2018-09-22 13:15:41 UTC
pluto
0
replies
Regarding Local environments of individual atom in a structure
started 2018-09-18 15:34:23 UTC
2018-09-18 15:34:23 UTC
sandeep Kumar
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