Transcription of Windows 版Quantum ESPRESSO ... - winmostar.com
1 Windows Quantum ESPRESSO 2020/04/21 1. Quantum ESPRESSO QE 64 bit OS MPICH 64 bit OS MPICH 32 bit OS MPICH 32 bit OS MPICH Temple University Axel Kohlmeyer exe Install 64 bit OS MPICH Quantum C: Program Files Quantum ESPRESSO 64-bit winmostar [ ] [ ] [ ] [Quantum ESPRESSO ] [..] Quantum ESPRESSO bin [OK] C: Program Files Quantum ESPRESSO 64-bit bin 32 C: Program Files Quantum ESPRESSO 32-bit bin 2.
2 Cygwin_wm cygwin cygwin_wm 3. MPICH [ ] 64 bit [ ] 32 bit .msi Quantum ESPRESSO 32-bit MPICH 32-bit 64-bit 64-bit msi (.NET Framework .NET Framework Windows .NET Framework ) MPICH directory c: > cd c: Program Files MPICH2 bin bin> install C: Program Files MPICH2 winmostar [ ] [ ] [ ] [MPICH2] [.]
3 ] MPICH bin [OK] 4. winmostar [ ] [ ]-[Quantum ESPRESSO ]-[ ] CH4 [ ] [ ] [OK] [Pseudo Potentials] [Download Pseudo Files] [Download Files] [Start] [Close] 1 [Open Pseudo Directory] pseudo Quantum ESPRESSO HP Pseudopotential PSlibrary Original QE PP table PSlibrary UPF Pseudopotential File Pseudopotential type, Functional type UPF pseudo 5.
4 winmostar [ ]-[ ] [ ]-[Quantum ESPRESSO ]-[ ] CH4 [ ] [ ] [OK] [Quantum ESPRESSO Setup] [Run] Windows Defender [ ]-[Quantum ESPRESSO ]-[ ] Quantum ESPRESSO SCF convergence has been achieved in.
