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Response calculations
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- Marking answers for solved issues
by pouillon » Fri Aug 09, 2013 12:56 pm - 0 Replies
- 39877 Views
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Fri Aug 09, 2013 12:56 pm
- Marking answers for solved issues
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- momentum matrix element calculation
by fingolfin2 » Mon May 23, 2016 4:10 pm - 1 Replies
- 1610 Views
- Last post by TheIdealis
Fri Jul 19, 2019 2:49 pm
- momentum matrix element calculation
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- How to define rfdir, tolwfr, tolvrs for a slab?
by elia » Fri Jul 05, 2019 7:08 pm - 2 Replies
- 42 Views
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Sat Jul 13, 2019 3:05 pm
- How to define rfdir, tolwfr, tolvrs for a slab?
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- Thermal conductivity
by Aiswarya Samal » Mon Jul 01, 2019 6:53 am - 0 Replies
- 35 Views
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Mon Jul 01, 2019 6:53 am
- Thermal conductivity
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- getcell does not get correct values in RF calculations
by Robin » Wed Oct 20, 2010 6:33 am
- 3 Replies
- 2302 Views
- Last post by jzwanzig
Thu Jun 20, 2019 3:11 pm
- getcell does not get correct values in RF calculations
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- Calculation of flexoelectric constants in abinit
by akent3096 » Mon Jun 17, 2019 7:51 pm - 1 Replies
- 74 Views
- Last post by ebousquet
Tue Jun 18, 2019 12:15 pm
- Calculation of flexoelectric constants in abinit
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- Electrical conductivity tutorial?
by mdsimulationgroup » Tue Jun 11, 2019 1:15 pm - 0 Replies
- 49 Views
- Last post by mdsimulationgroup
Tue Jun 11, 2019 1:15 pm
- Electrical conductivity tutorial?
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- GaN phonon (Phonons in Wurtzite structure )
by t.marinheiro » Tue May 21, 2019 1:11 pm
- 1 Replies
- 98 Views
- Last post by ebousquet
Thu Jun 06, 2019 9:47 am
- GaN phonon (Phonons in Wurtzite structure )
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- Tutorial on optical properties [SOLVED]
by wwlphys » Sat May 25, 2019 3:43 am
- 1 Replies
- 108 Views
- Last post by wwlphys
Sat Jun 01, 2019 8:28 am
- Tutorial on optical properties [SOLVED]
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- Wrong Berry phase with LOBPCG
by antonio » Mon Mar 25, 2019 6:53 pm
- 3 Replies
- 253 Views
- Last post by antonio
Tue May 28, 2019 3:21 pm
- Wrong Berry phase with LOBPCG
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- Temperature-dependent band structure + density of states
by ashipley » Tue May 28, 2019 12:32 pm - 0 Replies
- 60 Views
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Tue May 28, 2019 12:32 pm
- Temperature-dependent band structure + density of states
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- electrical conductivity in different crystalline planes
by mdsimulationgroup » Thu May 23, 2019 2:44 pm - 0 Replies
- 57 Views
- Last post by mdsimulationgroup
Thu May 23, 2019 2:44 pm
- electrical conductivity in different crystalline planes
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- Elastic properties
by new_986 » Sun Jul 29, 2018 8:42 am - 7 Replies
- 2248 Views
- Last post by ebousquet
Fri May 10, 2019 10:26 pm
- Elastic properties
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- Lattice Wannier functions from the previous versions
by cwmyung » Fri Apr 19, 2019 4:31 pm - 1 Replies
- 146 Views
- Last post by ebousquet
Fri Apr 26, 2019 7:55 am
- Lattice Wannier functions from the previous versions
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- eph calcualtion of hexagonal graphene
by Aiswarya Samal » Mon Apr 01, 2019 2:55 pm
- 2 Replies
- 197 Views
- Last post by Aiswarya Samal
Wed Apr 03, 2019 1:13 pm
- eph calcualtion of hexagonal graphene
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- IFC and unit of freq in PHDOS
by ganck » Wed Feb 13, 2019 12:41 pm - 3 Replies
- 285 Views
- Last post by mverstra
Mon Apr 01, 2019 1:54 pm
- IFC and unit of freq in PHDOS
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- ANADDB calculation of silicon
by Aiswarya Samal » Tue Mar 26, 2019 12:08 pm
- 3 Replies
- 197 Views
- Last post by mverstra
Wed Mar 27, 2019 4:09 pm
- ANADDB calculation of silicon
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- parallel berryopt -1 crashing with more than one node
by antonio » Wed Dec 05, 2018 6:02 pm
- 17 Replies
- 1473 Views
- Last post by ebousquet
Fri Mar 22, 2019 5:58 pm
- parallel berryopt -1 crashing with more than one node
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- Sudden break of running task with error not source code file [SOLVED]
by letuan » Fri Mar 15, 2019 6:40 am - 1 Replies
- 138 Views
- Last post by letuan
Fri Mar 15, 2019 8:22 am
- Sudden break of running task with error not source code file [SOLVED]
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- Kxc not implemented for GGA!
by woffermans » Tue Nov 27, 2018 5:34 pm
- 10 Replies
- 980 Views
- Last post by woffermans
Thu Jan 31, 2019 11:07 am
- Kxc not implemented for GGA!
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- ARPES spectra from electron-phonon calculation
by chrisewolf » Sun Jan 06, 2019 5:05 am - 0 Replies
- 207 Views
- Last post by chrisewolf
Sun Jan 06, 2019 5:05 am
- ARPES spectra from electron-phonon calculation
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- Structure optimization [SOLVED]
by kiran » Sat Apr 15, 2017 10:24 am
- 3 Replies
- 822 Views
- Last post by kiran
Thu Dec 20, 2018 10:01 am
- Structure optimization [SOLVED]
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- RF calculation (iscf=-3) is very slow...
by Hiroki » Sun Dec 09, 2018 9:55 am
- 1 Replies
- 327 Views
- Last post by ebousquet
Fri Dec 14, 2018 5:25 pm
- RF calculation (iscf=-3) is very slow...
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- DDB file does not contain GS etotal
by gswylq » Sat Dec 01, 2018 11:28 am - 1 Replies
- 303 Views
- Last post by ebousquet
Wed Dec 05, 2018 11:08 am
- DDB file does not contain GS etotal
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