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hse06 hybrid functional calculations diverging

Last post by wpiskorz « Thu Jun 14, 2018 12:59 pm
Replies: 1
by baranas » Fri Mar 09, 2018 11:09 am

1 Replies

5640 Views

Last post by wpiskorz
Thu Jun 14, 2018 12:59 pm
Out of memory error in calculating band structure

Last post by augolotti « Thu May 03, 2018 7:35 pm
Replies: 2
by augolotti » Fri Apr 13, 2018 8:35 pm

2 Replies

8500 Views

Last post by augolotti
Thu May 03, 2018 7:35 pm
Output format issue with PARCHG

Last post by admin « Thu Apr 05, 2018 8:01 am
Replies: 1
by rubel » Mon Mar 26, 2018 12:10 am

1 Replies

6295 Views

Last post by admin
Thu Apr 05, 2018 8:01 am
Different energies, warnings with different POTCAR verisons

Last post by admin « Wed Mar 14, 2018 3:58 pm
Replies: 1
by peterklaver » Fri Dec 08, 2017 5:06 pm

1 Replies

8887 Views

Last post by admin
Wed Mar 14, 2018 3:58 pm
Decreasing net magmom making ionic convergence difficult

Last post by admin « Wed Mar 14, 2018 3:53 pm
Replies: 2
by argon214 » Fri Jan 12, 2018 10:47 pm

2 Replies

4983 Views

Last post by admin
Wed Mar 14, 2018 3:53 pm
Using WAVECAR from prior ionic steps after a crash

Last post by admin « Wed Mar 14, 2018 3:49 pm
Replies: 2
by argon214 » Fri Jan 26, 2018 4:23 am

2 Replies

4481 Views

Last post by admin
Wed Mar 14, 2018 3:49 pm
DOSCAR file 6th line!

Last post by admin « Wed Mar 14, 2018 3:45 pm
Replies: 1
by sam2014 » Fri Mar 09, 2018 7:46 am

1 Replies

5263 Views

Last post by admin
Wed Mar 14, 2018 3:45 pm
line missing in fock.F

Last post by admin « Mon Mar 05, 2018 3:22 pm
Replies: 1
by wxiaom86 » Wed Feb 21, 2018 5:13 pm

1 Replies

3695 Views

Last post by admin
Mon Mar 05, 2018 3:22 pm
PAW problems

Last post by admin « Mon Mar 05, 2018 3:15 pm
Replies: 1
by shideh » Fri Jan 19, 2018 4:27 pm

1 Replies

4144 Views

Last post by admin
Mon Mar 05, 2018 3:15 pm
Conflicting OSZICAR and OUTCAR Moment Results

Last post by admin « Mon Mar 05, 2018 3:05 pm
Replies: 1
by lizd » Tue Jun 13, 2017 7:10 am

1 Replies

5785 Views

Last post by admin
Mon Mar 05, 2018 3:05 pm
Unexpected error during GW calculation

Last post by admin « Mon Mar 05, 2018 3:00 pm
Replies: 1
by wvno2 » Thu Dec 21, 2017 3:53 am

1 Replies

4066 Views

Last post by admin
Mon Mar 05, 2018 3:00 pm
integrated DOS at Fermi level does not match NELECT

Last post by admin « Mon Mar 05, 2018 2:55 pm
Replies: 2
by byin » Mon Aug 07, 2017 11:29 am

2 Replies

6722 Views

Last post by admin
Mon Mar 05, 2018 2:55 pm
run time error

Last post by admin « Mon Mar 05, 2018 2:46 pm
Replies: 1
by rrpalanichamy » Tue May 09, 2017 5:50 pm

1 Replies

3584 Views

Last post by admin
Mon Mar 05, 2018 2:46 pm
Sum of projected DOS less than total DOS

Last post by admin « Mon Mar 05, 2018 2:04 pm
Replies: 1
by KWH » Wed Feb 14, 2018 2:49 am

1 Replies

3785 Views

Last post by admin
Mon Mar 05, 2018 2:04 pm
NEB in VASP 5.4.4

Last post by admin « Thu Feb 01, 2018 2:43 pm
Replies: 1
by rgarcia » Wed Jan 31, 2018 3:01 pm

1 Replies

5804 Views

Last post by admin
Thu Feb 01, 2018 2:43 pm
GW+BSE Calculations

Last post by gbal « Thu Jan 18, 2018 3:16 pm
Replies: 5
by dscullion12 » Mon May 15, 2017 10:09 am

5 Replies

8892 Views

Last post by gbal
Thu Jan 18, 2018 3:16 pm
DFT+vdWsurf implementation

Last post by admin « Fri Jan 12, 2018 1:08 pm
Replies: 2
by agtonner » Fri Dec 22, 2017 1:22 pm

2 Replies

6209 Views

Last post by admin
Fri Jan 12, 2018 1:08 pm
LCALCEPS, IVDW, TOTAL ENERGY, and BORN EFFECTIVE CHARGES

Last post by ido « Tue Oct 31, 2017 5:38 am
Replies: 2
by ido » Wed Oct 25, 2017 6:58 am

2 Replies

4665 Views

Last post by ido
Tue Oct 31, 2017 5:38 am
Error in TS\IH dispersion correction calculations

Last post by admin « Tue Oct 17, 2017 11:51 am
Replies: 3
by scadars » Tue Oct 10, 2017 11:01 am

3 Replies

6161 Views

Last post by admin
Tue Oct 17, 2017 11:51 am
too slow Hirshfeld charges in iterative Tkatchenko-Scheffler

Last post by scadars « Tue Oct 10, 2017 11:20 am
Replies: 2
by jcconesa » Mon Dec 05, 2016 8:52 pm

2 Replies

6077 Views

Last post by scadars
Tue Oct 10, 2017 11:20 am

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