wien

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2021/10/02 [Wien] Error in BerryPI Ver. Mar 15, 2021 turchenko
2021/10/02 Re: [Wien] Error in BerryPI Ver. Mar 15, 2021 Rubel, Oleg
2021/10/01 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/10/01 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Query about HSE06 Peter Blaha
2021/09/30 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Query about HSE06 Peter Blaha
2021/09/30 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/30 Re: [Wien] Query about HSE06 shamik chakrabarti
2021/09/30 Re: [Wien] Steps to perform volume optimization of orthorhombic structure Peter Blaha
2021/09/30 [Wien] Steps to perform volume optimization of orthorhombic structure AJAY SINGH VERMA
2021/09/30 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/30 Re: [Wien] Error while doing AFM calculation 413119008
2021/09/29 Re: [Wien] About testing the FSM procedure to fix the convergence problem Laurence Marks
2021/09/29 Re: [Wien] About testing the FSM procedure to fix the convergence problem Algerian Researcher
2021/09/29 Re: [Wien] About testing the FSM procedure to fix the convergence problem Laurence Marks
2021/09/29 Re: [Wien] About testing the FSM procedure to fix the convergence problem Algerian Researcher
2021/09/29 Re: [Wien] About testing the FSM procedure to fix the convergence problem Laurence Marks
2021/09/29 [Wien] About testing the FSM procedure to fix the convergence problem Algerian Researcher
2021/09/29 Re: [Wien] Query about HSE06 Tran, Fabien
2021/09/29 [Wien] Query about HSE06 shamik chakrabarti
2021/09/29 [Wien] Fwd: Severe bug in SRC_aim Peter Blaha
2021/09/28 Re: [Wien] query for elastic constants fatima DFT
2021/09/28 Re: [Wien] modified analyze_phonon file Peter Blaha
2021/09/27 [Wien] modified analyze_phonon file Hamza Bouafia
2021/09/27 Re: [Wien] query for elastic constants fatima DFT
2021/09/27 Re: [Wien] Need help for purchasing hardware Peter Blaha
2021/09/26 Re: [Wien] Error in 2nd cycle shamik chakrabarti
2021/09/26 Re: [Wien] Increase points in klist_band Tran, Fabien
2021/09/26 [Wien] Increase points in klist_band Wahid Kamal
2021/09/26 Re: [Wien] Need help for purchasing hardware Laurence Marks
2021/09/26 Re: [Wien] Need help for purchasing hardware Laurence Marks
2021/09/26 [Wien] Need help for purchasing hardware SANDEEP ARORA
2021/09/26 Re: [Wien] Error in 2nd cycle Peter Blaha
2021/09/26 Re: [Wien] Need help for purchasing hardware Peter Blaha
2021/09/26 [Wien] Need help for purchasing hardware SANDEEP ARORA
2021/09/26 Re: [Wien] Error in 2nd cycle shamik chakrabarti
2021/09/26 Re: [Wien] Error in 2nd cycle Peter Blaha
2021/09/25 [Wien] Error in 2nd cycle shamik chakrabarti
2021/09/22 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/22 Re: [Wien] Error while doing AFM calculation 413119008
2021/09/22 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/22 Re: [Wien] Error while doing AFM calculation 413119008
2021/09/19 Re: [Wien] A basic question regarding the band structure shamik chakrabarti
2021/09/18 Re: [Wien] A basic question regarding the band structure Peter Blaha
2021/09/18 [Wien] A basic question regarding the band structure shamik chakrabarti
2021/09/18 Re: [Wien] Ghost band error shamik chakrabarti
2021/09/18 Re: [Wien] Ghost band error Gavin Abo
2021/09/18 [Wien] Ghost band error shamik chakrabarti
2021/09/17 Re: [Wien] query for elastic constants Peter Blaha
2021/09/17 Re: [Wien] query for elastic constants fatima DFT
2021/09/17 Re: [Wien] query for elastic constants Laurence Marks
2021/09/17 Re: [Wien] query for elastic constants fatima DFT
2021/09/17 Re: [Wien] query for elastic constants Laurence Marks
2021/09/17 Re: [Wien] query for elastic constants fatima DFT
2021/09/17 [Wien] query for elastic constants fatima DFT
2021/09/16 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/16 Re: [Wien] Error while doing AFM calculation Gavin Abo
2021/09/16 Re: [Wien] Error while doing AFM calculation Gavin Abo
2021/09/16 Re: [Wien] Error while doing AFM calculation 413119008
2021/09/15 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/15 Re: [Wien] mBJ+SOC Wahid Kamal
2021/09/15 Re: [Wien] Error while doing AFM calculation 413119008
2021/09/14 Re: [Wien] mBJ+SOC Tran, Fabien
2021/09/14 [Wien] mBJ+SOC Wahid Kamal
2021/09/13 Re: [Wien] Error while doing AFM calculation Gavin Abo
2021/09/13 Re: [Wien] Error while doing AFM calculation Peter Blaha
2021/09/13 Re: [Wien] Error while doing AFM calculation Laurence Marks
2021/09/12 [Wien] Error while doing AFM calculation 413119008
2021/09/12 Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
2021/09/12 Re: [Wien] Confusion regarding supercell calculation Anupriya Nyayban
2021/09/12 Re: [Wien] Confusion regarding supercell calculation Peter Blaha
2021/09/12 Re: [Wien] join_vectorfiles and fold2bloch mismatch Peter Blaha
2021/09/11 Re: [Wien] running wien2k using aprun command at Cray XC40 venky ch
2021/09/11 Re: [Wien] Confusion regarding supercell calculation Anupriya Nyayban
2021/09/11 Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
2021/09/11 Re: [Wien] running wien2k using aprun command at Cray XC40 venky ch
2021/09/10 Re: [Wien] Problem for the bandstructure with PBE+SOC Gavin Abo
2021/09/10 Re: [Wien] Problem for the bandstructure with PBE+SOC delamora
2021/09/09 Re: [Wien] join_vectorfiles and fold2bloch mismatch Rubel, Oleg
2021/09/09 [Wien] join_vectorfiles and fold2bloch mismatch Marcus Ekholm
2021/09/09 Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
2021/09/09 Re: [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
2021/09/09 Re: [Wien] running wien2k using aprun command at Cray XC40 Laurence Marks
2021/09/08 Re: [Wien] Problem for the bandstructure with PBE+SOC Fecher, Gerhard
2021/09/08 Re: [Wien] Error in x tetra Peeyush Kumar Kamlesh
2021/09/08 [Wien] running wien2k using aprun command at Cray XC40 venky ch
2021/09/08 Re: [Wien] Problem for the bandstructure with PBE+SOC delamora
2021/09/07 Re: [Wien] Error in x tetra Tran, Fabien
2021/09/07 [Wien] Error in x tetra Peeyush Kumar Kamlesh
2021/09/06 [Wien] Fwd: Some- QUESTIONS- Replies- about-IRelast-Package Peter Blaha
2021/09/04 [Wien] The problem for atomic forces in the supercells of lanthanides compounds Artem Tarasov
2021/09/03 Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds [email protected]
2021/09/03 Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds Peter Blaha
2021/09/03 Re: [Wien] The problem for atomic forces in the supercells of lanthanides compounds Laurence Marks
2021/09/03 [Wien] The problem for atomic forces in the supercells of lanthanides compounds Artem Tarasov
2021/09/02 Re: [Wien] dstart error in wien2k ver21_1 Laurence Marks
2021/09/02 Re: [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
2021/09/02 [Wien] Mailing list removal V. Maxwell
2021/09/02 Re: [Wien] dstart error in wien2k ver21_1 Laurence Marks
2021/09/02 [Wien] dstart error in wien2k ver21_1 Ashwani Kumar
2021/09/02 Re: [Wien] Warning in total energy Laurence Marks
2021/09/02 [Wien] Warning in total energy Anupriya Nyayban
2021/08/29 Re: [Wien] Error In lapw2 while doing AFM calculation Lyudmila Dobysheva
2021/08/29 Re: [Wien] Error In lapw2 while doing AFM calculation Gavin Abo
2021/08/29 [Wien] Error In lapw2 while doing AFM calculation 413119008
2021/08/29 Re: [Wien] converting struct file into CIF formant 413119008
2021/08/28 Re: [Wien] converting struct file into CIF formant Laurence Marks
2021/08/28 Re: [Wien] converting struct file into CIF formant Fecher, Gerhard
2021/08/27 Re: [Wien] Fermi surface with orbital characters Peter Blaha
2021/08/27 [Wien] Fermi surface with orbital characters Anatoly Slobodchikov
2021/08/26 Re: [Wien] converting struct file into CIF formant Laurence Marks
2021/08/25 Re: [Wien] converting struct file into CIF formant Gavin Abo
2021/08/25 Re: [Wien] converting struct file into CIF formant Laurence Marks
2021/08/25 Re: [Wien] converting struct file into CIF formant Gavin Abo
2021/08/25 Re: [Wien] converting struct file into CIF formant Laurence Marks
2021/08/25 [Wien] converting struct file into CIF formant 413119008
2021/08/19 Re: [Wien] segmentation fault in lapwso Laurence Marks
2021/08/19 Re: [Wien] segmentation fault in lapwso Pavel Ondračka
2021/08/19 Re: [Wien] segmentation fault in lapwso Laurence Marks
2021/08/19 Re: [Wien] segmentation fault in lapwso Peter Blaha
2021/08/19 Re: [Wien] unable to find the "x" executable path at Cray node venky ch
2021/08/18 [Wien] unable to find the "x" executable path at Cray node venky ch
2021/08/18 Re: [Wien] segmentation fault in lapwso Luis Ogando
2021/08/18 Re: [Wien] segmentation fault in lapwso Pavel Ondračka
2021/08/18 Re: [Wien] segmentation fault in lapwso Laurence Marks
2021/08/18 Re: [Wien] segmentation fault in lapwso Laurence Marks
2021/08/18 Re: [Wien] segmentation fault in lapwso Pavel Ondračka
2021/08/18 Re: [Wien] Mixing Hamza Bouafia
2021/08/18 Re: [Wien] segmentation fault in lapwso Luis Ogando
2021/08/18 Re: [Wien] Mixing Luis Ogando
2021/08/18 Re: [Wien] segmentation fault in lapwso Pavel Ondračka
2021/08/17 Re: [Wien] segmentation fault in lapwso Fecher, Gerhard
2021/08/17 [Wien] Mixing Laurence Marks
2021/08/17 Re: [Wien] segmentation fault in lapwso Luis Ogando
2021/08/14 Re: [Wien] Regarding "gather_energy.pl" Gavin Abo
2021/08/14 Re: [Wien] Regarding "gather_energy.pl" Mohaddeseh Abbasnejad
2021/08/14 Re: [Wien] Regarding "gather_energy.pl" Gavin Abo
2021/08/14 [Wien] Regarding "gather_energy.pl" Mohaddeseh Abbasnejad
2021/08/09 Re: [Wien] Improving k-mesh/RKMAX etc shamik chakrabarti
2021/08/09 [Wien] Improving k-mesh/RKMAX etc Laurence Marks
2021/08/09 Re: [Wien] Fwd: Query about denser k-mesh for calculating more accurate total energy/unit cell shamik chakrabarti
2021/08/09 [Wien] Fwd: Query about denser k-mesh for calculating more accurate total energy/unit cell Peter Blaha
2021/08/06 Re: [Wien] Possible bug in recent version of nn? Peter Blaha
2021/08/06 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Gavin Abo
2021/08/06 Re: [Wien] Possible bug in recent version of nn? Peter Blaha
2021/08/06 [Wien] Possible bug in recent version of nn? SM Alay-e-Abbas
2021/08/06 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
2021/08/05 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Peter Blaha
2021/08/05 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
2021/08/05 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Peter Blaha
2021/08/05 Re: [Wien] Top surface layer seems to be isolated from the rest of the system Dr. K. C. Bhamu
2021/08/05 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
2021/08/05 Re: [Wien] error while loading shared libraries libmpi_usempif08.so.40 Laurence Marks
2021/08/05 [Wien] Will mpi parallelization need .machines file ? venky ch
2021/08/05 [Wien] error while loading shared libraries libmpi_usempif08.so.40 venky ch
2021/08/05 Re: [Wien] errors @ wien2k_21.1 compilation venky ch
2021/08/04 Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
2021/08/04 Re: [Wien] errors @ wien2k_21.1 compilation Fecher, Gerhard
2021/08/04 Re: [Wien] errors @ wien2k_21.1 compilation venky ch
2021/08/03 Re: [Wien] errors @ wien2k_21.1 compilation Gavin Abo
2021/08/03 Re: [Wien] errors @ wien2k_21.1 compilation venky ch
2021/08/03 Re: [Wien] errors @ wien2k_21.1 compilation Peter Blaha
2021/08/03 Re: [Wien] errors @ wien2k_21.1 compilation Fecher, Gerhard
2021/08/03 Re: [Wien] errors @ wien2k_21.1 compilation venky ch
2021/07/30 [Wien] Severe bug with MGGA when using Libxc Tran, Fabien
2021/07/29 Re: [Wien] Error in "init_mbj_lapw" Laurence Marks
2021/07/29 Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
2021/07/29 Re: [Wien] errors @ wien2k_21.1 compilation venkatesh chandragiri
2021/07/29 Re: [Wien] errors @ wien2k_21.1 compilation Laurence Marks
2021/07/28 [Wien] errors @ wien2k_21.1 compilation venkatesh chandragiri
2021/07/28 [Wien] Error in "init_mbj_lapw" عبدالرزاق خيرالدين
2021/07/23 Re: [Wien] Regarding BoltzTraP2 for spin polarized materials Gavin Abo
2021/07/23 [Wien] Regarding BoltzTraP2 for spin polarized materials Mohaddeseh Abbasnejad
2021/07/20 Re: [Wien] Activation Energy shamik chakrabarti
2021/07/20 Re: [Wien] Activation Energy Peter Blaha
2021/07/20 Re: [Wien] Activation Energy shamik chakrabarti
2021/07/20 Re: [Wien] Activation Energy Dr. K. C. Bhamu
2021/07/20 Re: [Wien] Activation Energy Laurence Marks
2021/07/20 Re: [Wien] Activation Energy shamik chakrabarti
2021/07/20 Re: [Wien] Activation Energy Laurence Marks
2021/07/20 Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
2021/07/20 [Wien] Activation Energy shamik chakrabarti
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound Peter Blaha
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
2021/07/19 Re: [Wien] Confusion regarding AFM structure of a spinel compound Laurence Marks
2021/07/19 [Wien] Confusion regarding AFM structure of a spinel compound shamik chakrabarti
2021/07/18 Re: [Wien] Intel compilers Gavin Abo
2021/07/18 Re: [Wien] Precise positions overwritten Wahid Kamal