wien@zeus.theochem.tuwien.ac.at

0

replies

GLLB-SC potential

started 2018-12-03 08:16:50 UTC

2018-12-03 08:16:50 UTC

Gavin Abo

4

replies

RAM issues in lapw1 -bands

started 2018-11-28 18:41:32 UTC

2018-11-29 18:10:52 UTC

Coriolan TIUSAN

9

replies

Upgrade to Wien2k18.2

started 2018-11-08 12:22:37 UTC

2018-11-28 13:14:18 UTC

Fecher, Gerhard

1

reply

wien2kon mac

started 2018-11-24 12:21:36 UTC

2018-11-27 13:16:16 UTC

Gavin Abo

6

replies

Convergence problem with cLDA method

started 2018-11-23 00:15:41 UTC

2018-11-23 05:43:34 UTC

karima Physique

1

reply

how to create oxygen vacancy in supercell

started 2018-11-22 15:20:01 UTC

2018-11-23 00:25:04 UTC

Gavin Abo

2

replies

"OpenBlas" package instead of default "blas"

started 2018-11-20 00:24:23 UTC

2018-11-22 15:14:26 UTC

Ashwani Kumar

0

replies

GMIN in case.outputd

started 2018-11-21 05:14:37 UTC

2018-11-21 05:14:37 UTC

delamora

0

replies

Severe memory leak with impi 2019

started 2018-11-17 22:59:46 UTC

2018-11-17 22:59:46 UTC

Laurence Marks

0

replies

Modified Becke Johnson parameter "c"

started 2018-11-17 19:34:59 UTC

2018-11-17 19:34:59 UTC

Mohammed Abujafar

2

replies

Error in spin orbit coupling

started 2018-11-16 17:40:34 UTC

2018-11-16 19:00:21 UTC

Riyajul Islam

3

replies

Wien2k18.2_Exercise not able to repeat

started 2018-11-16 00:56:11 UTC

2018-11-16 11:21:07 UTC

Ashwani Kumar

3

replies

xcrysden installed but not able to integrate with wien2k interface

started 2018-10-27 23:43:40 UTC

2018-11-14 13:15:22 UTC

Ashwani Kumar

0

replies

Error while running SCF with k-point parallelization

started 2018-11-14 00:23:15 UTC

2018-11-14 00:23:15 UTC

Abhijit B K

0

replies

crash in tetra -enefile

started 2018-11-12 18:09:58 UTC

2018-11-12 18:09:58 UTC

Pavel Ondračka

2

replies

SCF is not converging for DFT+U calculations

started 2018-11-05 14:29:40 UTC

2018-11-11 20:20:10 UTC

Gavin Abo

4

replies

Fermi surface not 4 fold symmetric for a cubic material with space group Pm3m

started 2018-11-05 13:53:09 UTC

2018-11-08 17:03:54 UTC

Gavin Abo

0

replies

Please don't just look at :DIS & :ENE

started 2018-11-07 22:57:50 UTC

2018-11-07 22:57:50 UTC

Laurence Marks

0

replies

Speed-up of the nonlocal vdW functionals

started 2018-11-06 16:28:15 UTC

2018-11-06 16:28:15 UTC

Dr. K. C. Bhamu

13

replies

problems with convergence of SCF for AFM HoPtBi

started 2018-11-01 01:35:38 UTC

2018-11-05 21:20:10 UTC

Laurence Marks

2

replies

Problem with LDA+U with Core Hole

started 2018-11-05 17:17:25 UTC

2018-11-05 20:03:55 UTC

catalina coll

3

replies

Thermoelectric properties

started 2018-11-03 14:11:10 UTC

2018-11-03 23:12:11 UTC

abderrazek khireddine

1

reply

Mixer - Error, No feasible Pratt step

started 2018-11-01 14:50:20 UTC

2018-11-01 17:58:29 UTC

Laurence Marks

2

replies

something about the soc

started 2018-10-30 06:57:16 UTC

2018-10-30 10:11:53 UTC

姜若诗

2

replies

Fail to parallel calculation of lapw1 and lapw2 (testpara1 and testpara2)

started 2018-10-28 15:04:00 UTC

2018-10-29 11:35:38 UTC

Gavin Abo

1

reply

Parallel calculation -stop of iterations after mixer. :ENE NaN value

started 2018-10-28 18:35:56 UTC

2018-10-28 20:04:09 UTC

Laurence Marks

1

reply

scf not converging for slab calculations with spin orbit coupling

started 2018-10-28 12:08:04 UTC

2018-10-28 18:19:56 UTC

Laurence Marks

9

replies

Help Request for making WIEN2K (ver18.2) programs executable.

started 2018-10-22 00:08:19 UTC

2018-10-27 23:31:51 UTC

Ashwani Kumar

0

replies

semicore band range too large when applying SOC with larger k-points.

started 2018-10-25 00:28:56 UTC

2018-10-25 00:28:56 UTC

Dinesh Yadav

0

replies

Fermi surface for a GGA+U+SO calculation using Xcrysden

started 2018-10-23 13:18:25 UTC

2018-10-23 13:18:25 UTC

Wing Chi YU