Using VASP

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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

2649 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

1693 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

1378 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

7928 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

1853 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

1728 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

1379 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

1235 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

1307 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

1231 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

1333 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

1244 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

2047 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

1307 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

2028 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

1354 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

1350 Views

Last post by support_vasp
Thu Sep 12, 2024 6:57 am
Can Paramagnetic phase be modeled using AFM ordering?

Last post by support_vasp « Thu Sep 12, 2024 6:57 am
Replies: 1
by prasenjit » Thu Apr 21, 2016 4:21 pm

1 Replies

1221 Views

Last post by support_vasp
Thu Sep 12, 2024 6:57 am
Questin regarding memory on GW

Last post by support_vasp « Thu Sep 12, 2024 6:57 am
Replies: 1
by askhetan » Tue Apr 19, 2016 10:50 am

1 Replies

1115 Views

Last post by support_vasp
Thu Sep 12, 2024 6:57 am
MetaGGA+SOC+optics?

Last post by support_vasp « Thu Sep 12, 2024 6:57 am
Replies: 1
by a.soon » Thu Mar 24, 2016 1:58 pm

1 Replies

1485 Views

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

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