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low-scaling GW calculations for vasp6

Last post by merzuk.kaltak « Tue Apr 28, 2020 1:54 pm
Replies: 3
by xiaoming_wang » Wed Apr 08, 2020 4:08 am

3 Replies

9743 Views

Last post by merzuk.kaltak
Tue Apr 28, 2020 1:54 pm
wrong band orders (eigenvalue or orbital) of GW calculations

Last post by merzuk.kaltak « Mon Apr 27, 2020 7:55 am
Replies: 1
by xiaoming_wang » Sat Apr 11, 2020 4:41 am

1 Replies

4982 Views

Last post by merzuk.kaltak
Mon Apr 27, 2020 7:55 am
MPI error at large NBANDS

Last post by yueguang_shi « Tue Apr 07, 2020 2:12 am
Replies: 6
by yueguang_shi » Sun Mar 29, 2020 11:00 pm

6 Replies

9708 Views

Last post by yueguang_shi
Tue Apr 07, 2020 2:12 am
Adding LSORBIT Causes Errors in WAVECAR

Last post by merzuk.kaltak « Mon Mar 30, 2020 1:02 pm
Replies: 1
by josh_reding » Mon Mar 30, 2020 10:08 am

1 Replies

5569 Views

Last post by merzuk.kaltak
Mon Mar 30, 2020 1:02 pm
XML Root tag closing in BSE and TDDFT

Last post by merzuk.kaltak « Mon Mar 23, 2020 3:42 pm
Replies: 1
by Malediction » Fri Jul 12, 2019 8:54 am

1 Replies

14257 Views

Last post by merzuk.kaltak
Mon Mar 23, 2020 3:42 pm
MLFF_Liquid_Si example - No ML Ouput Files

Last post by henrique_miranda « Mon Mar 23, 2020 11:16 am
Replies: 1
by christianreece » Thu Mar 19, 2020 8:07 pm

1 Replies

4504 Views

Last post by henrique_miranda
Mon Mar 23, 2020 11:16 am
VASP Segmentation Fault Seemingly due to Vacuum Width?

Last post by jianan_zhang « Thu Mar 19, 2020 11:39 pm
Replies: 4
by meb7pz » Tue Mar 03, 2020 12:29 am

4 Replies

9268 Views

Last post by jianan_zhang
Thu Mar 19, 2020 11:39 pm
Can you help with vasp/5.5.4-omc submission script?

Last post by henrique_miranda « Thu Mar 19, 2020 10:53 am
Replies: 1
by nicola_zagni » Wed Mar 11, 2020 1:45 pm

1 Replies

4667 Views

Last post by henrique_miranda
Thu Mar 19, 2020 10:53 am
Maximum number of atoms and other limits.

Last post by martin.schlipf « Thu Feb 06, 2020 3:12 pm
Replies: 5
by Danny » Fri Dec 01, 2006 11:06 pm

5 Replies

12328 Views

Last post by martin.schlipf
Thu Feb 06, 2020 3:12 pm
WARNING: DENTET: can't reach specified precision

Last post by martin.schlipf « Fri Jan 31, 2020 9:22 am
Replies: 7
by avan » Fri Sep 16, 2005 7:17 am

7 Replies

27643 Views

Last post by martin.schlipf
Fri Jan 31, 2020 9:22 am
Incorrect energy value in vasprun.xml

Last post by martin.schlipf « Mon Jan 27, 2020 11:12 am
Replies: 2
by ehermes » Thu Jul 02, 2015 9:27 pm

2 Replies

7234 Views

Last post by martin.schlipf
Mon Jan 27, 2020 11:12 am
Uncertain free energy in noncollinear calculation

Last post by martin.schlipf « Thu Jan 23, 2020 9:15 am
Replies: 1
by rolando_saniz1 » Wed Jan 22, 2020 2:40 pm

1 Replies

4882 Views

Last post by martin.schlipf
Thu Jan 23, 2020 9:15 am
Output bug in vasprun.xml with Xe

Last post by martin.schlipf « Thu Jan 23, 2020 8:42 am
Replies: 1
by melissa_hines » Mon Jan 13, 2020 6:15 pm

1 Replies

4555 Views

Last post by martin.schlipf
Thu Jan 23, 2020 8:42 am
error with continuum solvent model

Last post by martin.schlipf « Fri Nov 15, 2019 9:10 am
Replies: 1
by morteza » Thu Nov 14, 2019 5:03 am

1 Replies

5373 Views

Last post by martin.schlipf
Fri Nov 15, 2019 9:10 am
VASP Site Migration

Last post by martin.schlipf « Mon Nov 11, 2019 1:03 pm

by martin.schlipf » Mon Nov 11, 2019 1:03 pm

0 Replies

4254 Views

Last post by martin.schlipf
Mon Nov 11, 2019 1:03 pm
Bug in wave.F if PGI16 not defined (5.4.4)

Last post by merzuk.kaltak « Wed Sep 18, 2019 9:50 am
Replies: 1
by ehermes » Mon Aug 14, 2017 7:04 pm

1 Replies

6818 Views

Last post by merzuk.kaltak
Wed Sep 18, 2019 9:50 am
Grimme D3 size limit?

Last post by alex « Tue Jul 02, 2019 8:57 am
Replies: 1
by hfruchtl » Mon Jul 01, 2019 3:09 pm

1 Replies

4675 Views

Last post by alex
Tue Jul 02, 2019 8:57 am
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

6309 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

5675 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

6846 Views

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

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