Using VASP

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INCAR of F2 molecule

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by nawwara » Mon Nov 18, 2013 4:35 pm

1 Replies

2961 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
Selective dispersion corrections on Au

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by QuantumFist » Sun Jul 28, 2013 9:29 pm

1 Replies

2748 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
LDA+U

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by zaz » Thu Feb 06, 2014 1:29 pm

1 Replies

2751 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
Convergence with dipole correction

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by Yue-Wen Fang » Mon Jul 29, 2013 1:52 am

1 Replies

2891 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
coulomb energies

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by Tonykuttan » Fri Dec 30, 2011 1:11 am

1 Replies

2802 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
scaled velocities in the CONTCAR file

Last post by support_vasp « Thu Sep 12, 2024 8:01 am
Replies: 1
by sammu09 » Mon Jul 29, 2013 9:44 pm

1 Replies

3051 Views

Last post by support_vasp
Thu Sep 12, 2024 8:01 am
Combine xml files to be read in VMD?

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by jgsmi » Wed Sep 12, 2012 4:40 am

1 Replies

3162 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
INCAR of F2 molecule

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by nawwara » Mon Nov 18, 2013 4:34 pm

1 Replies

2940 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
How vasp is projecting DOS?

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by Kinga » Tue Sep 11, 2012 5:42 pm

1 Replies

2621 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
Reason for why high precision gives wrong band gap.

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by shyam » Sat Jun 01, 2013 9:30 am

1 Replies

2579 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
The difference between Valence band top and fermi level in vasp

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by zhangjinmt » Mon Apr 22, 2013 9:12 am

1 Replies

2670 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
total (ionic + electronic) macroscopic dielectric tensor using LEPSILON

Last post by support_vasp « Thu Sep 12, 2024 8:00 am
Replies: 1
by dhfphysics » Tue Jun 12, 2012 1:12 am

1 Replies

3099 Views

Last post by support_vasp
Thu Sep 12, 2024 8:00 am
Calculating Effective Correlation Energy?

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by maryam » Fri Sep 07, 2012 2:32 pm

1 Replies

2957 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
wave-functions

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by mmebanane » Thu Feb 23, 2012 6:02 pm

1 Replies

2611 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
orthorhombic lattice parameter optimization

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by vaspmpi » Thu Nov 01, 2012 3:56 pm

1 Replies

2860 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Spin-orbit coupling breaks symmetry of forces in HSE calculation

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by hipertrofia » Fri Feb 22, 2013 7:03 pm

1 Replies

2942 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Error - internal ERROR RSPHER:running out of buffer 0

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by kmkumar » Sat Oct 29, 2011 3:03 am

1 Replies

3143 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Total Energy functional

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by umklapp » Fri Jun 08, 2012 8:21 pm

1 Replies

2779 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
CHGCAR grid is in direct coordinates?

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by hess8 » Fri Jun 08, 2012 5:38 pm

1 Replies

2602 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
Is it the Nose or Nose-hoover thermostat for SMASS >= 0?

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by cenwanglai » Sun Sep 09, 2012 4:07 am

1 Replies

2825 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am

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