Using VASP

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Effective mass

Last post by ashima29 « Fri Dec 22, 2017 10:12 am
Replies: 2
by ashima29 » Thu Nov 02, 2017 8:05 am

2 Replies

5276 Views

Last post by ashima29
Fri Dec 22, 2017 10:12 am
Frequency Dependent Dielectric Tensor

Last post by admin « Thu Dec 14, 2017 2:50 pm
Replies: 1
by dscullion12 » Wed Dec 13, 2017 7:14 pm

1 Replies

2285 Views

Last post by admin
Thu Dec 14, 2017 2:50 pm
higher energy orbitals in the DOSCAR?

Last post by call_me_Al « Tue Nov 28, 2017 6:30 pm
Replies: 1
by call_me_Al » Mon Jul 24, 2017 8:33 pm

1 Replies

2092 Views

Last post by call_me_Al
Tue Nov 28, 2017 6:30 pm
Ce_3 Potential doesn't have the f-orbital charge

Last post by admin « Tue Nov 21, 2017 11:33 am
Replies: 1
by huan0001 » Mon Nov 20, 2017 3:37 pm

1 Replies

3754 Views

Last post by admin
Tue Nov 21, 2017 11:33 am
Different results with the same input of energy calculation

Last post by mhl980 « Mon Nov 13, 2017 2:56 pm
Replies: 1
by mhl980 » Mon Nov 13, 2017 8:49 am

1 Replies

2152 Views

Last post by mhl980
Mon Nov 13, 2017 2:56 pm
Transition State Search through CI-NEB

Last post by seemagautam « Tue Oct 31, 2017 5:25 am
Replies: 2
by seemagautam » Tue Oct 24, 2017 10:26 am

2 Replies

5379 Views

Last post by seemagautam
Tue Oct 31, 2017 5:25 am
How to access VASP on the web

Last post by timur « Mon Oct 23, 2017 9:50 pm

by timur » Mon Oct 23, 2017 9:50 pm

0 Replies

3271 Views

Last post by timur
Mon Oct 23, 2017 9:50 pm
d-band center calculation

Last post by alex « Wed Oct 18, 2017 4:03 pm
Replies: 1
by mdhossain » Tue Oct 17, 2017 12:56 pm

1 Replies

3128 Views

Last post by alex
Wed Oct 18, 2017 4:03 pm
Limit the energy range in BSE calculation

Last post by admin « Thu Sep 28, 2017 10:48 am
Replies: 1
by z9wang » Tue Sep 26, 2017 7:56 am

1 Replies

2050 Views

Last post by admin
Thu Sep 28, 2017 10:48 am
damped MD; temperature fluctuations

Last post by admin « Tue Sep 26, 2017 12:45 pm
Replies: 1
by anindya2710 » Sun Sep 24, 2017 8:19 pm

1 Replies

1983 Views

Last post by admin
Tue Sep 26, 2017 12:45 pm
Energy is not converged with HSE06 under polarized-system

Last post by alex « Tue Sep 26, 2017 11:34 am
Replies: 5
by VASP001 » Mon Sep 11, 2017 4:30 am

5 Replies

3461 Views

Last post by alex
Tue Sep 26, 2017 11:34 am
Hessian matrix IBRION=6

Last post by alex « Sat Sep 09, 2017 8:46 am
Replies: 3
by Tobias Kraemer » Wed Aug 23, 2017 12:22 pm

3 Replies

3614 Views

Last post by alex
Sat Sep 09, 2017 8:46 am
Self-Consistent Hybrid functional in VASP

Last post by debmalya760 « Fri Aug 11, 2017 7:05 pm
Replies: 4
by debmalya760 » Tue Jul 18, 2017 7:11 pm

4 Replies

3171 Views

Last post by debmalya760
Fri Aug 11, 2017 7:05 pm
USPP for fractional Hydrogen?

Last post by admin « Thu Jul 13, 2017 11:00 am
Replies: 1
by vlordi » Wed Jul 12, 2017 1:11 am

1 Replies

1646 Views

Last post by admin
Thu Jul 13, 2017 11:00 am
DFT calclulation of Carbonyl groups

Last post by admin « Wed Jun 21, 2017 7:57 am
Replies: 1
by skureshi » Tue Jun 20, 2017 9:06 pm

1 Replies

1849 Views

Last post by admin
Wed Jun 21, 2017 7:57 am
RWIGS: Angstrom or wigner-seitz radius (au A)

Last post by admin « Thu Jun 08, 2017 1:33 pm
Replies: 1
by raminans » Thu Apr 27, 2017 8:25 pm

1 Replies

2947 Views

Last post by admin
Thu Jun 08, 2017 1:33 pm
Carrier doper and NELECT

Last post by admin « Thu Jun 08, 2017 1:31 pm
Replies: 1
by konda.physics@gmail.com » Tue May 02, 2017 8:34 am

1 Replies

1891 Views

Last post by admin
Thu Jun 08, 2017 1:31 pm
Why Pt has electron occupations in p-orbitals

Last post by admin « Thu Jun 08, 2017 1:29 pm
Replies: 1
by sjtuzhanglei » Wed May 03, 2017 4:49 am

1 Replies

1914 Views

Last post by admin
Thu Jun 08, 2017 1:29 pm
Large imaginary modes for H2

Last post by admin « Thu Jun 08, 2017 1:26 pm
Replies: 4
by Tobias Kraemer » Wed Apr 05, 2017 11:16 am

4 Replies

4260 Views

Last post by admin
Thu Jun 08, 2017 1:26 pm
Program received signal SIGSEGV: Segmentation fault - invali

Last post by admin « Thu Jun 08, 2017 1:23 pm
Replies: 1
by VASP001 » Sun Jun 04, 2017 2:43 pm

1 Replies

3477 Views

Last post by admin
Thu Jun 08, 2017 1:23 pm

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