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SCF does not converge for ZnO slab

Last post by admin « Mon May 20, 2019 8:37 am
Replies: 1
by donniedarko » Thu May 16, 2019 7:29 am

1 Replies

6109 Views

Last post by admin
Mon May 20, 2019 8:37 am
Same input give different output- transition metal surface

Last post by zhouych « Thu Apr 25, 2019 2:44 pm
Replies: 1
by zhouych » Tue Apr 09, 2019 9:13 am

1 Replies

5490 Views

Last post by zhouych
Thu Apr 25, 2019 2:44 pm
epsilon_diag missing

Last post by admin « Thu Apr 25, 2019 8:29 am
Replies: 1
by acohen3 » Wed Apr 24, 2019 11:06 pm

1 Replies

6661 Views

Last post by admin
Thu Apr 25, 2019 8:29 am
Comments in INCAR

Last post by samuel.mathews « Wed Jan 30, 2019 6:13 pm
Replies: 2
by samuel.mathews » Tue Nov 13, 2018 3:35 pm

2 Replies

6887 Views

Last post by samuel.mathews
Wed Jan 30, 2019 6:13 pm
Strange magnetization and localization values

Last post by admin « Mon Jan 28, 2019 10:46 am
Replies: 1
by deak » Thu Dec 06, 2018 2:31 pm

1 Replies

4136 Views

Last post by admin
Mon Jan 28, 2019 10:46 am
corrections to VASP manual and wiki k-point pages

Last post by ymantz « Fri Dec 07, 2018 12:00 am
Replies: 2
by ymantz » Thu Nov 15, 2018 11:48 pm

2 Replies

6260 Views

Last post by ymantz
Fri Dec 07, 2018 12:00 am
Units of EFIELD

Last post by merzuk.kaltak « Wed Nov 28, 2018 4:29 pm
Replies: 1
by rgarcia » Wed Nov 28, 2018 2:03 pm

1 Replies

5182 Views

Last post by merzuk.kaltak
Wed Nov 28, 2018 4:29 pm
The VCA in VASP.5.4

Last post by LIUXINGHUI « Wed Nov 28, 2018 2:47 am
Replies: 4
by LIUXINGHUI » Sat Nov 17, 2018 5:53 am

4 Replies

11236 Views

Last post by LIUXINGHUI
Wed Nov 28, 2018 2:47 am
memory corruption in DFPT calc with ISYM = -1, NPAR !=1

Last post by weixie4 « Mon Nov 12, 2018 8:31 pm
Replies: 3
by weixie4 » Mon Oct 29, 2018 6:59 pm

3 Replies

11472 Views

Last post by weixie4
Mon Nov 12, 2018 8:31 pm
the restart for the heavy job such as HSE+SOC and phonon

Last post by admin « Mon Oct 29, 2018 3:13 pm
Replies: 1
by LIUXINGHUI » Fri Oct 26, 2018 3:17 am

1 Replies

7748 Views

Last post by admin
Mon Oct 29, 2018 3:13 pm
Problem in KPOINTS

Last post by merzuk.kaltak « Fri Sep 28, 2018 1:26 pm
Replies: 1
by konda.physics@gmail.com » Thu Sep 27, 2018 12:39 pm

1 Replies

3964 Views

Last post by merzuk.kaltak
Fri Sep 28, 2018 1:26 pm
mBJ calculation is stuck

Last post by admin « Fri Sep 07, 2018 9:24 am
Replies: 1
by jcconesa » Sun Sep 02, 2018 4:21 pm

1 Replies

5552 Views

Last post by admin
Fri Sep 07, 2018 9:24 am
SCF loop diverging with Spin-orbit on

Last post by admin « Fri Sep 07, 2018 9:10 am
Replies: 1
by paulfons » Mon Aug 20, 2018 8:40 am

1 Replies

10394 Views

Last post by admin
Fri Sep 07, 2018 9:10 am
Energy problem using vasp 5.4.4

Last post by admin « Fri Aug 31, 2018 10:55 am
Replies: 1
by Qin Pang » Thu Aug 24, 2017 12:14 am

1 Replies

6348 Views

Last post by admin
Fri Aug 31, 2018 10:55 am
PROCAR precision

Last post by admin « Fri Aug 31, 2018 10:47 am
Replies: 2
by paulfons » Fri Mar 17, 2017 10:04 am

2 Replies

5120 Views

Last post by admin
Fri Aug 31, 2018 10:47 am
Identical inputs, different results at different cpu cluster

Last post by admin « Fri Aug 31, 2018 10:34 am
Replies: 1
by smattsson » Wed May 09, 2018 12:07 pm

1 Replies

5160 Views

Last post by admin
Fri Aug 31, 2018 10:34 am
EDDIAG warning when using LCALCEPS

Last post by admin « Fri Aug 31, 2018 10:28 am
Replies: 1
by dahvyd.wing » Thu Jun 14, 2018 12:29 pm

1 Replies

4180 Views

Last post by admin
Fri Aug 31, 2018 10:28 am
unit opticaltransitions

Last post by admin « Fri Aug 31, 2018 10:09 am
Replies: 1
by camille » Tue Jul 24, 2018 9:45 am

1 Replies

4863 Views

Last post by admin
Fri Aug 31, 2018 10:09 am
Vasp Metadynamics Simulation

Last post by admin « Fri Aug 31, 2018 10:02 am
Replies: 1
by vj181 » Thu Aug 30, 2018 6:17 pm

1 Replies

4146 Views

Last post by admin
Fri Aug 31, 2018 10:02 am
Total DOS is missing electrons

Last post by admin « Thu Aug 30, 2018 10:23 am
Replies: 3
by xamnidar » Sun Jul 22, 2018 10:54 pm

3 Replies

7369 Views

Last post by admin
Thu Aug 30, 2018 10:23 am

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