Using VASP

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why the energy difference is so large?

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by xingbin » Mon Aug 15, 2016 9:14 am

1 Replies

1314 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
"floating-point execptions" in vasp.5.4.1-gfortran

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by M Dave » Thu Aug 11, 2016 3:19 pm

1 Replies

3830 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
are the DOSCAR written after GW valid for analysis ?

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by askhetan » Tue Aug 09, 2016 6:04 pm

1 Replies

1401 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
How to locate homo-lumo of a molecule in a composite system?

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by askhetan » Fri Aug 05, 2016 1:14 pm

1 Replies

2731 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
Origin-dependent finite electric field results

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by tfrankcombe » Thu Jul 21, 2016 8:49 am

1 Replies

1756 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
when is an NEB converged

Last post by support_vasp « Thu Sep 12, 2024 7:01 am
Replies: 1
by hfruchtl » Wed Jul 20, 2016 7:03 pm

1 Replies

1428 Views

Last post by support_vasp
Thu Sep 12, 2024 7:01 am
NEB on GPUs

Last post by support_vasp « Thu Sep 12, 2024 7:00 am
Replies: 1
by tfrankcombe » Wed Jul 13, 2016 4:45 am

1 Replies

8002 Views

Last post by support_vasp
Thu Sep 12, 2024 7:00 am
STM simulation using p4vasp

Last post by support_vasp « Thu Sep 12, 2024 7:00 am
Replies: 1
by weiwa49 » Mon Jul 11, 2016 3:28 pm

1 Replies

1921 Views

Last post by support_vasp
Thu Sep 12, 2024 7:00 am
can one specify the fermi level manually for GW ?

Last post by support_vasp « Thu Sep 12, 2024 7:00 am
Replies: 1
by askhetan » Mon Jul 11, 2016 11:34 am

1 Replies

1786 Views

Last post by support_vasp
Thu Sep 12, 2024 7:00 am
transition metal oxide GGA and HSE06, +U or not

Last post by support_vasp « Thu Sep 12, 2024 6:59 am
Replies: 1
by terencelz » Fri Jul 08, 2016 11:39 pm

1 Replies

1437 Views

Last post by support_vasp
Thu Sep 12, 2024 6:59 am
dos display strangely

Last post by support_vasp « Thu Sep 12, 2024 6:59 am
Replies: 1
by hongbiao » Sat Jun 25, 2016 2:18 am

1 Replies

1284 Views

Last post by support_vasp
Thu Sep 12, 2024 6:59 am
electric filed direction and electron accumlation(depletion)

Last post by support_vasp « Thu Sep 12, 2024 6:59 am
Replies: 1
by megan » Sat Jun 18, 2016 5:22 am

1 Replies

1364 Views

Last post by support_vasp
Thu Sep 12, 2024 6:59 am
Continuing a GW

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by askhetan » Fri Jun 10, 2016 11:58 am

1 Replies

1284 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
Initialisation of the calculation

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by dholec » Thu Jun 09, 2016 2:29 pm

1 Replies

1410 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
wavefunction of gamma point vasp

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by zzhlax » Sat Jun 04, 2016 5:22 am

1 Replies

1294 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
MBJ Band Structure Calculation

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by debmalya760 » Fri May 27, 2016 11:52 pm

1 Replies

2100 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
force not converged

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by hongbiao » Tue May 24, 2016 5:47 pm

1 Replies

1354 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
Is this memory problem or something else ..?

Last post by support_vasp « Thu Sep 12, 2024 6:58 am
Replies: 1
by askhetan » Mon May 16, 2016 1:14 pm

1 Replies

2074 Views

Last post by support_vasp
Thu Sep 12, 2024 6:58 am
NEDOS related

Last post by support_vasp « Thu Sep 12, 2024 6:57 am
Replies: 1
by dilnaazhikodan » Mon May 02, 2016 4:16 pm

1 Replies

1406 Views

Last post by support_vasp
Thu Sep 12, 2024 6:57 am
Calculating surface binding energies in oxide solid solution

Last post by support_vasp « Thu Sep 12, 2024 6:57 am
Replies: 1
by hat343 » Fri Apr 22, 2016 7:53 am

1 Replies

1417 Views

Last post by support_vasp
Thu Sep 12, 2024 6:57 am

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